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#Molecular Modeling

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Institute for Pure & Applied Mathematics (IPAM)

More is Different - Non-Scalability of Approximation in Modeling Noncovalent Interaction

2 rewiews
Exploring the limitations of common approximations in modeling non-covalent interactions at the nanoscale, revealing complex scaling behaviors and the need for advanced quantum-mechanical methods.
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17 Lesons
53 minutes
On-Demand
Free-Video
ICTP-SAIFR

Constant-pH MD Simulations as a Tool to Unveil pH Effects on Biomolecules

0 rewiews
Explore constant-pH MD simulations to uncover pH effects on biomolecules. Gain insights into advanced molecular biophysics techniques and their applications.
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1 Lesons
38 minutes
On-Demand
Free-Video
Broad Institute

PROTPARDELLE: An All-Atom Protein Generative Model - Broad Institute Machine Learning in Drug Discovery Symposium 2023

0 rewiews
Explore PROTPARDELLE, an all-atom protein generative model, presented by Stanford's Possu Huang at the Broad Institute's Machine Learning in Drug Discovery Symposium.
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1 Lesons
22 minutes
On-Demand
Free-Video
MolSoft Molecules in Silico

Chemically Probing the Mechanism of KATP Channels

0 rewiews
Explore the mechanism of KATP channels through chemical probing, focusing on structure, gating, and the role of palmitoylation in channel opening.
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9 Lesons
28 minutes
On-Demand
Free-Video
MolSoft Molecules in Silico

Computer-Driven Discovery of GPCR Ligands with New Chemotypes and Functional Selectivity

0 rewiews
Explore computer-driven discovery of GPCR ligands, focusing on new chemotypes and functional selectivity. Learn structure-based techniques for rational ligand design and virtual screening.
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20 Lesons
32 minutes
On-Demand
Free-Video
MolSoft Molecules in Silico

New Technologies in MolSoft ICM: Neural Networks and Beyond

0 rewiews
Explore cutting-edge neural networks and advanced technologies in molecular modeling with MolSoft ICM, enhancing your computational chemistry capabilities.
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1 Lesons
30 minutes
On-Demand
Free-Video
School of Chemoinformatics in Latin America

Cheminformatics-Driven Discovery of Hits for Neglected and Emerging Diseases - 2022

0 rewiews
Explore AI-driven drug discovery for neglected diseases with Dr. Carolina Horta, focusing on computational methods and QSAR models for identifying new drug candidates.
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1 Lesons
39 minutes
On-Demand
Free-Video
MolSoft Molecules in Silico

ICM 3D Ligand Editor - Ligand Docking, Editing and Optimization

0 rewiews
Explore ICM 3D Ligand Editor for advanced ligand docking, editing, and optimization techniques in molecular modeling and drug discovery.
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1 Lesons
1 hour
On-Demand
Free-Video
MolSoft Molecules in Silico

How Molsoft Scarab Helped Fight COVID-19 in the UK

0 rewiews
Explore how Molsoft Scarab contributed to COVID-19 research in the UK, presented by Oxford's Dr. Brian Marsden at MolSoft's User Group Meeting.
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1 Lesons
30 minutes
On-Demand
Free-Video
MolSoft Molecules in Silico

Mining in the Ultra-Large Library SAVI with Molsoft Tools

0 rewiews
Explore mining techniques in the ultra-large SAVI library using MolSoft tools, enhancing drug discovery and molecular analysis capabilities.
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1 Lesons
28 minutes
On-Demand
Free-Video
MolSoft Molecules in Silico

Highlights of Recent ICM Developments: GPU Acceleration, Applications, and More

0 rewiews
Explore recent ICM developments, including GPU acceleration and applications. Discover advancements in molecular modeling, docking, and AI tools for computational chemistry.
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11 Lesons
25 minutes
On-Demand
Free-Video
Broad Institute

Active Learning for Absolute Binding Free Energy Calculations in Drug Discovery

0 rewiews
Explore innovative active learning techniques for absolute binding free energy calculations, enhancing drug discovery processes and efficiency.
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1 Lesons
23 minutes
On-Demand
Free-Video
Broad Institute

Applying Machine Learning on Drug Discovery Projects

0 rewiews
Dive into practical applications of machine learning in drug discovery projects with insights from Relay Therapeutics' Chief Data Officer, Pat Walters.
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1 Lesons
43 minutes
On-Demand
Free-Video
Broad Institute

What's Holding Back AI in Drug Discovery?

0 rewiews
Explore the challenges impeding AI's progress in drug discovery with insights from DeepCure's CEO Kfir Schreiber, shedding light on potential solutions and future directions.
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1 Lesons
18 minutes
On-Demand
Free-Video
MolSoft Molecules in Silico

Ligand Docking in ICM: Small Molecules, Fragments, Covalent and Template-Based Methods

0 rewiews
Master ligand docking techniques in ICM-Pro, from pocket identification to covalent docking, enhancing your molecular modeling skills for drug discovery and design.
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6 Lesons
1 hour 2 minutes
On-Demand
Free-Video
QCHEM LAB at KNU

Detailed Introduction to Input Options in Quantum Chemistry

0 rewiews
Explore input options in quantum chemistry with Prof. Choi. Gain insights into fundamental concepts and advanced techniques for both beginners and experienced practitioners.
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1 Lesons
12 minutes
On-Demand
Free-Video
Bioinformatics With BB

Protein-Protein Docking Tutorial for Beginners Using ClusPro, PatchDock, and Hex

0 rewiews
Learn to perform protein-protein docking using validated tools like ClusPro, PatchDock, and Hex. Gain hands-on experience with step-by-step demonstrations and access to relevant literature.
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11 Lesons
26 minutes
On-Demand
Free-Video
Materials Cloud

Methods for Computational Biology and Drug Discovery

0 rewiews
Explore fundamental computational methods in physics and chemistry, presented by their creators, with insights into their development and applications.
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1 Lesons
2 hours 29 minutes
On-Demand
Free-Video
Applied Algebraic Topology Network

Exchanging Replicas with Unequal Cost, Infinitely and Permanently

0 rewiews
Innovative replica exchange method for parallel simulations with varying computational costs, enhancing efficiency in Monte Carlo algorithms and path sampling techniques.
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1 Lesons
36 minutes
On-Demand
Free-Video
Alan Turing Institute

Stratification for Markov Chain Monte Carlo

0 rewiews
Explore advanced Markov Chain Monte Carlo techniques, focusing on stratification methods for complex systems modeling and statistical inference in various scientific domains.
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1 Lesons
39 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Coarse Graining and Multiscale Modeling of DNA - Part 2

0 rewiews
Delve into advanced DNA modeling techniques, exploring coarse graining and multiscale approaches for understanding complex molecular structures and interactions at different computational levels.
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1 Lesons
51 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Coarse Graining and Multiscale Modeling of DNA - Part 1

0 rewiews
Explore advanced computational techniques for DNA modeling, focusing on coarse-graining methods and multiscale approaches to understand DNA structure and dynamics at different resolutions.
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1 Lesons
46 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Revealing Inaccuracies of the GFN1-xTB Semi-Empirical Method with Machine-Learning Toolset

0 rewiews
Explore machine learning applications in identifying limitations of GFN1-xTB semi-empirical calculations for computational chemistry and molecular modeling.
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1 Lesons
14 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Computer Simulations of DNA-Ligand Intercalation Complexes - Special Features

0 rewiews
Dive into advanced computational methods for studying DNA-ligand intercalation complexes, exploring simulation techniques and key molecular interactions in biophysical research.
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1 Lesons
1 hour
On-Demand
Free-Video
Materials Research Society

The Effect of Osmotic Pressure on Collagen Mimetic Sequences

0 rewiews
Groundbreaking analysis of collagen molecule behavior upon dehydration using collagen mimetic peptides. Reveals sequence-dependent elongation or contraction, crucial for understanding biological materials.
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1 Lesons
21 minutes
On-Demand
Free-Video
Alan Turing Institute

From Micro to Macro in Collective Dynamics

0 rewiews
Explore methods for modeling collective dynamics, from microscopic to macroscopic scales. Learn techniques for analyzing complex systems in various scientific fields.
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1 Lesons
38 minutes
On-Demand
Free-Video
Let's Code Physics

Toy Chemistry - Three Bonds

0 rewiews
Explore a computational model of chemical bonding, examining bond formation probabilities and their impact on molecular structures.
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1 Lesons
19 minutes
On-Demand
Free-Video
nanohubtechtalks

Introduction to Computational Chemistry Using the NUITNS Simulation Toolkit in nanoHUB

0 rewiews
Explore computational chemistry using NUITNS toolkit on nanoHUB. Learn to integrate simulations in undergraduate chemistry courses and analyze nanodiamonds through hands-on demonstrations and practical applications.
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30 Lesons
45 minutes
On-Demand
Free-Video
QChemSoftware

Introduction to IQmol - 2024 Virtual Winter School in Computational Chemistry - Session 1

0 rewiews
Crash course on IQmol: build molecules, submit calculations, analyze results. Includes overview and hands-on lab exercise for Q-Chem's graphical interface.
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1 Lesons
23 minutes
On-Demand
Free-Video
QChemSoftware

Energy Decomposition Analysis Techniques and Applications - Session 5

0 rewiews
Explore energy decomposition analysis techniques, covering theory and applications in Q-Chem software, with Prof. Yuezhi Mao from the University of San Diego.
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7 Lesons
22 minutes
On-Demand
Free-Video
QChemSoftware

New Features in Q-Chem 6 - 2023 Virtual Winter School in Computational Chemistry

0 rewiews
Explore the latest advancements in computational chemistry software with insights on Q-Chem 6.0 and upcoming features in version 6.1, enhancing your research capabilities.
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1 Lesons
30 minutes
On-Demand
Free-Video
QChemSoftware

Introduction to IQmol: Building Molecules and Analyzing Results - Session 2

0 rewiews
Crash course on IQmol: build molecules, submit calculations, analyze results. Hands-on tutorial for Q-Chem's graphical interface, with practical exercises and installation guidance.
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10 Lesons
27 minutes
On-Demand
Free-Video
QChemSoftware

Solvent Models in Molecular Quantum Chemistry Calculations - Session 8

0 rewiews
Explore solvent models in quantum chemistry with Prof. Herbert, covering continuum electrostatics, solvation energies, and applications to ionization and excitation processes.
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11 Lesons
28 minutes
On-Demand
Free-Video
QChemSoftware

Geometry Optimization in Q-Chem - 2023 Virtual Winter School in Computational Chemistry

0 rewiews
Overview of geometry optimization in Q-Chem, focusing on practical aspects of running calculations and paired with a hands-on lab exercise.
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1 Lesons
17 minutes
On-Demand
Free-Video
QCHEM LAB at KNU

Paragatic Observations Over the Development of Software in Quantum Chemistry

0 rewiews
Explore pragmatic insights into quantum chemistry software development, focusing on key trends and practical considerations in this evolving field.
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1 Lesons
30 minutes
On-Demand
Free-Video
QCHEM LAB at KNU

Electronic-Structure Informatics: Concept, Method, Applications, and Plausible Extension

0 rewiews
Explore electronic-structure informatics, covering concepts, methods, applications, and potential extensions in computational chemistry and materials science.
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1 Lesons
29 minutes
On-Demand
Free-Video
QCHEM LAB at KNU

MRSF-TDDFT - A Simple Yet Powerful Quantum Theory

0 rewiews
Explore a powerful quantum theory, MRSF-TDDFT, and its applications in computational chemistry and materials science.
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1 Lesons
15 minutes
On-Demand
Free-Video
Valence Labs

Rigid Body Flows for Sampling Molecular Crystal Structures

0 rewiews
Explore normalizing flows for modeling 3D molecular crystal structures. Learn about flows on rigid bodies, sign-equivariant flows, and implementations like Moebius flows and convex gradient maps.
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7 Lesons
1 hour 24 minutes
On-Demand
Free-Video
Valence Labs

Molecular Modeling of Complex Biological Systems

0 rewiews
Explore molecular modeling techniques for complex biological systems, focusing on chromatin dynamics, DNA methylation effects, and histone tail modeling. Learn to predict system responses to modifications and mutations.
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9 Lesons
35 minutes
On-Demand
Free-Video
MICDE University of Michigan

Chemical Foundation Models for Drug Discovery

0 rewiews
Explore chemical foundation models for drug discovery, focusing on innovative approaches and potential breakthroughs in pharmaceutical research.
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1 Lesons
30 minutes
On-Demand
Free-Video
NPTEL-NOC IITM

Idea of Z-Matrix

0 rewiews
Explore the concept of Z-matrix in molecular geometry, understanding its structure and applications in computational chemistry.
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1 Lesons
11 minutes
On-Demand
Free-Video
Valence Labs

Structured State-Space Sequence Models for De Novo Drug Design

0 rewiews
Explore the potential of Structured State-Space Sequence (S4) models in advancing chemical language modeling for de novo drug design, including bioactive compound identification and natural product design.
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6 Lesons
57 minutes
On-Demand
Free-Video
Valence Labs

Protein Folding and Design - Day 5

0 rewiews
Explore protein folding and design techniques with Alex Tong, delving into advanced machine learning applications for drug discovery and structural biology.
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1 Lesons
1 hour 6 minutes
On-Demand
Free-Video
Valence Labs

Accelerate Atomistic Simulations, Sampling, and Dynamics - Day 2

0 rewiews
Explore advanced techniques for accelerating atomistic simulations, enhancing sampling methods, and optimizing dynamics in drug discovery research.
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1 Lesons
1 hour 1 minute
On-Demand
Free-Video
Valence Labs

Interpretable Chirality-Aware Graph Neural Networks for QSAR Modeling in Drug Discovery

0 rewiews
Explore an innovative Graph Neural Network approach for drug discovery, incorporating molecular chirality and offering interpretable results to enhance quantitative structure-activity relationship modeling.
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13 Lesons
49 minutes
On-Demand
Free-Video
Valence Labs

Differentiable Simulations for Enhanced Sampling of Rare Events

0 rewiews
Explore deep learning applications in molecular simulations, including surrogate functions, sampling complex distributions, and time-propagation of differential equations. Learn about active learning, generative models, and reaction path finding.
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10 Lesons
1 hour 1 minute
On-Demand
Free-Video
Valence Labs

Neural Network Potentials for Low-Energy 3D Structure Generation and Reactivity Prediction

0 rewiews
Explore neural network potentials for efficient 3D structure generation and reactivity prediction in molecular modeling, featuring Auto3D package and ANI-2xt model advancements.
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7 Lesons
50 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Молекулярно-динамічні моделювання колективної динаміки іон-гідратної оболонки подвійної спіралі ДНК

0 rewiews
Дослідіть молекулярно-динамічне моделювання колективної поведінки іон-гідратної оболонки ДНК та її вплив на структурну динаміку подвійної спіралі.
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1 Lesons
48 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Метод класичної молекулярної динаміки в моделюванні властивостей молекули подвійної спіралі ДНК

0 rewiews
Dive into classical molecular dynamics methods and their application in modeling DNA double helix properties, exploring computational approaches in modern biophysics research.
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1 Lesons
1 hour 43 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Моделювання біохімічних процесів за допомогою гібридних квантово-механічних/молекулярно-механічних методів QM/MM в NAMD та ORCA

0 rewiews
Дослідіть моделювання біохімічних процесів з використанням гібридних QM/MM методів у NAMD та ORCA для поглибленого аналізу молекулярних систем.
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1 Lesons
1 hour 22 minutes
On-Demand
Free-Video
Discover AI

Reinforcement Learning-Based Fine-Tuning of Diffusion Models for Drug Discovery

0 rewiews
Dive into advanced reinforcement learning techniques for fine-tuning diffusion models, focusing on accelerated drug discovery, bioinformatics, and molecular compound predictions.
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1 Lesons
43 minutes
On-Demand
Free-Video
Alan Turing Institute

Universality Classes for 1+1 Dimensional Systems

0 rewiews
Explore universality classes in 1+1 dimensional systems, focusing on weak universality conjecture, graphical construction, and links to Brownian web. Gain insights into complex systems modeling.
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10 Lesons
43 minutes
On-Demand
Free-Video
Paul G. Allen School

How Will Quantum Computing Change the Technology Landscape? - Bruce Davie, Systems Approach, LLC

0 rewiews
Explore quantum computing's potential impact on technology, from achieving quantum supremacy to revolutionizing cryptography, optimization, and machine learning, while addressing challenges and separating hype from reality.
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17 Lesons
1 hour 3 minutes
On-Demand
Free-Video
The Royal Institution

Quantum Computing: Untangling the Hype

0 rewiews
Experts discuss quantum computing's potential, workings, and impact on fields like cryptography and molecular modeling, separating hype from reality in this comprehensive exploration.
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1 Lesons
1 hour 33 minutes
On-Demand
Free-Video
Alan Turing Institute

Phase Transitions for Mean Field Limits of Noisy Interacting Agents

0 rewiews
Explore phase transitions in mean field limits of noisy interacting agents, examining complex systems modeling and statistical approaches for accurate predictions in various scientific fields.
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1 Lesons
40 minutes
On-Demand
Free-Video
Alan Turing Institute

Coarse-Graining Stochastic Dynamics

0 rewiews
Explore techniques for simplifying complex stochastic systems through coarse-graining, enabling practical computation and accurate prediction in various scientific fields.
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1 Lesons
39 minutes
On-Demand
Free-Video
Alan Turing Institute

Understanding the Geopolitical Structure of the USA

0 rewiews
Explore statistical approaches for analyzing geopolitical structures in the USA, combining data analysis with complex systems modeling to uncover crucial features and patterns.
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1 Lesons
32 minutes
On-Demand
Free-Video
Alan Turing Institute

Learning Models by Making Them Interact

0 rewiews
Explore new approaches to data-driven modeling of complex systems, combining statistical inference, high-throughput computation, and physical laws for more accurate predictions in various scientific fields.
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1 Lesons
42 minutes
On-Demand
Free-Video
Valence Labs

Exploring Molecular Space and Active Learning in Drug Discovery

0 rewiews
Explore molecular space and active learning techniques for drug discovery with AI pioneer Yoshua Bengio's insights from the 2024 ML Summer School at Mila.
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1 Lesons
1 hour 6 minutes
On-Demand
Free-Video
Valence Labs

Learning ML Interatomic Potentials - Day 2

0 rewiews
Explore ML interatomic potentials for drug discovery with expert Gianni De Fabritiis. Gain insights into advanced techniques and applications in computational chemistry.
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1 Lesons
52 minutes
On-Demand
Free-Video
Valence Labs

LLMs in Drug Discovery - Day 5

0 rewiews
Explore the application of Large Language Models in drug discovery, focusing on innovative approaches and potential breakthroughs in pharmaceutical research.
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1 Lesons
57 minutes
On-Demand
Free-Video
Valence Labs

Machine Learning in Structure-Based Drug Discovery - Day 2

0 rewiews
Explore machine learning applications in structure-based drug discovery, focusing on innovative techniques and their impact on pharmaceutical research.
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1 Lesons
58 minutes
On-Demand
Free-Video
Valence Labs

Polaris - Industry-Led Initiative to Critically Assess ML for Real-World Drug Discovery

0 rewiews
Explore an industry-led initiative critically assessing machine learning's impact on real-world drug discovery through the Polaris project.
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1 Lesons
32 minutes
On-Demand
Free-Video
Valence Labs

Leveraging Molecular ML and Property Prediction in Drug Design

0 rewiews
Explore cutting-edge molecular machine learning techniques for drug design, focusing on property prediction to enhance pharmaceutical development.
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1 Lesons
38 minutes
On-Demand
Free-Video
Valence Labs

Crippen's logP as a Quantitative Molecular Benchmark for Explainable AI Heatmaps

0 rewiews
Explore Crippen's logP as a quantitative benchmark for explainable AI heatmaps in molecular modeling. Learn about atomic attribution methods and their applications in chemical property prediction.
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9 Lesons
54 minutes
On-Demand
Free-Video
Valence Labs

Introducing Bioptic - Machine Learning for Drug Discovery

0 rewiews
Explore Bioptic's architecture, training, and scaling for machine learning in drug discovery with Vlad Vinograv.
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5 Lesons
14 minutes
On-Demand
Free-Video
Valence Labs

Smooth, Exact Rotational Symmetrization for Deep Learning on Point Clouds

0 rewiews
Explore rotational symmetrization for deep learning on point clouds, enhancing AI models for chemical and materials modeling with exact compliance to physical constraints.
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9 Lesons
1 hour 15 minutes
On-Demand
Free-Video
Valence Labs

Calibration and Generalizability of Probabilistic Models on Low-Data Chemical Datasets

0 rewiews
Explore calibration and generalizability of probabilistic models on small chemical datasets. Gain insights into model selection and feature choice for molecular property prediction and design.
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8 Lesons
53 minutes
On-Demand
Free-Video
Cambridge Materials

Using Sequence Data to Predict the Self-Assembly of Supramolecular Collagen Structures

0 rewiews
Explore collagen self-assembly prediction using amino acid sequences. Learn to design custom periodic collagen structures for novel biomimetic materials.
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1 Lesons
21 minutes
On-Demand
Free-Video
Cambridge Materials

Fully Quantum (Bio)Molecular Simulations - Dream or Reality?

0 rewiews
Explore quantum-mechanical and machine learning advances in molecular simulations, their potential impact, and challenges in achieving fully quantum dynamics of complex biomolecular systems.
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1 Lesons
25 minutes
On-Demand
Free-Video
QMCPACK

New Correlation-Consistent Effective Core Potentials

0 rewiews
Explore new correlation-consistent effective core potentials for quantum chemistry calculations, enhancing accuracy and efficiency in molecular simulations.
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1 Lesons
29 minutes
On-Demand
Free-Video
Conference GSI

Exploration of Conformations for an Intrinsically Disordered Protein

0 rewiews
Explore conformations of intrinsically disordered proteins, delving into their unique structural characteristics and functional implications in biological systems.
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1 Lesons
22 minutes
On-Demand
Free-Video
Conference GSI

Pseudo Dihedral Angles in Proteins - A New Description of the Ramachandran Map

0 rewiews
Explore a novel approach to protein structure analysis using pseudo dihedral angles, offering fresh insights into the Ramachandran map and its implications for protein folding.
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1 Lesons
21 minutes
On-Demand
Free-Video
Valence Labs

Structure-Aware Protein Self-Supervised Learning

0 rewiews
Explore structure-aware protein self-supervised learning, combining GNN models with protein language models to enhance structural information capture for improved downstream task performance.
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6 Lesons
30 minutes
On-Demand
Free-Video
BIMSA

SchNet - A Deep Learning Architecture for Molecules and Materials

0 rewiews
Explore SchNet, a deep learning architecture for modeling atomistic systems, and its applications in predicting molecular and material properties across chemical space.
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1 Lesons
49 minutes
On-Demand
Free-Video
BIMSA

Accelerating Materials Design with Crystal Graph Neural Networks

0 rewiews
Explore Crystal Graph Convolutional Neural Networks for predicting material properties and their impact on graph neural networks and transformers in materials design.
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1 Lesons
42 minutes
On-Demand
Free-Video
BIMSA

DP-GEN: An Optimal Active Learning Protocol for Constructing Interatomic Potentials - Materials Simulation

0 rewiews
Explore DP-GEN, an innovative active learning protocol revolutionizing molecular modeling by constructing accurate interatomic potentials. Learn its three-step iterative process and applications in materials simulation.
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1 Lesons
45 minutes
On-Demand
Free-Video
Center for Language & Speech Processing(CLSP), JHU

Deep Learning for Protein Structure Discovery

0 rewiews
Explore deep learning techniques for uncovering protein structures, revolutionizing molecular biology and drug discovery.
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1 Lesons
52 minutes
On-Demand
Free-Video
QMCPACK

Surrogate Hessian Method for Geometry Optimization - QMCPACK Workshop 2023

0 rewiews
Explore the surrogate Hessian method for efficient geometry optimization in quantum systems, presented by Jaron Krogel at the QMCPACK Workshop 2023.
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1 Lesons
38 minutes
On-Demand
Free-Video
ATOMS UFRJ

Connecting Modeling, Simulations, and Machine Learning with Experiments for Soft Materials Design - Structure-Property Relationships

0 rewiews
Explore molecular modeling, simulations, and machine learning for soft materials design. Connect computational methods with experiments to uncover structure-property relationships in polymers and colloids.
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18 Lesons
48 minutes
On-Demand
Free-Video
nanohubtechtalks

Machine Learning Models for Ionic Conductivity with Schrödinger's AutoQSAR - Hands-On Workshop

0 rewiews
Explore machine learning for ionic conductivity prediction using Schrödinger's AutoQSAR tool. Gain hands-on experience with MS Maestro interface to create and implement models for materials science applications.
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13 Lesons
55 minutes
On-Demand
Free-Video
Finnish Center for Artificial Intelligence FCAI

Explainable and Robust AI for VILMA Virtual Laboratory

0 rewiews
Explore explainable AI and uncertainty quantification in atmospheric research. Learn about SLISEMAP, a supervised manifold visualization method for local explanations and dimensionality reduction.
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18 Lesons
39 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Computational Methods of Structural Bioinformatics in Studies of Protein-Nucleic Recognition

0 rewiews
Explore computational methods in structural bioinformatics, focusing on protein-nucleic recognition mechanisms and their applications in DNA physics through advanced analytical approaches.
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1 Lesons
1 hour 11 minutes
On-Demand
Free-Video
ChemicalQDevice

How to Develop APIs for Generative AI Drug Discovery Production

0 rewiews
Explore platforms for creating APIs from Large Language Models to enhance drug discovery workflows. Learn to increase efficiency, reduce errors, and lower costs through synchronization and automation.
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1 Lesons
1 hour 6 minutes
On-Demand
Free-Video
MICDE University of Michigan

Efficient Calculations of Electronic Structures with Machine-Learning Models

0 rewiews
Explore machine learning models for efficient electronic structure calculations in materials discovery and drug design, focusing on density functional theory and the Materials Learning Algorithms library.
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1 Lesons
1 hour 21 minutes
On-Demand
Free-Video
Paul G. Allen School

The Frontiers of Modeling Atoms with AI

0 rewiews
Explore cutting-edge AI applications in atomic modeling, focusing on drug discovery and climate change solutions, with insights into machine learning potentials and renewable fuel synthesis catalysts.
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1 Lesons
1 hour 3 minutes
On-Demand
Free-Video
Bioinformatics With BB

Artificial Intelligence for Protein Modeling - DNA, RNA and Ion Docking Explained

0 rewiews
Discover how AlphaFold3 revolutionizes structural biology through AI-powered protein modeling, enabling accurate predictions of 3D molecular structures, DNA/RNA interactions, and protein-protein binding mechanisms.
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1 Lesons
20 minutes
On-Demand
Free-Video
MolSoft Molecules in Silico

Structure-Based Virtual Ligand Screening with ICM-Pro

0 rewiews
Master structure-based virtual ligand screening techniques using ICM-Pro software, from project setup and file preparation to running screens, analyzing results, and creating hitlists.
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6 Lesons
1 hour 7 minutes
On-Demand
Free-Video