Statistics for topic molecular-dynamics
RepositoryStats tracks 518,989 Github repositories, of these 100 are tagged with the molecular-dynamics topic. The most common primary language for repositories using this topic is Python (54). Other languages include: C++ (15)
Stargazers over time for topic molecular-dynamics
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List of protein (enzymes and PPIs) conformations and molecular dynamics using generative artificial intelligence and deep learning
MDAnalysis is a Python library to analyze molecular dynamics simulations.
A deep learning package for many-body potential energy representation and molecular dynamics
List of protein (enzymes and PPIs) conformations and molecular dynamics using generative artificial intelligence and deep learning
a python package for the interfacial analysis of molecular simulations
Collective variables library for molecular simulation and analysis programs
Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Code" button, or ...
A deep learning package for many-body potential energy representation and molecular dynamics
List of protein (enzymes and PPIs) conformations and molecular dynamics using generative artificial intelligence and deep learning
This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the University of Milano, originally inspired by https://github.com/pb3lab/i...
Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Code" button, or ...
A deep learning package for many-body potential energy representation and molecular dynamics
OpenMM is a toolkit for molecular simulation using high performance GPU code.
SchNetPack - Deep Neural Networks for Atomistic Systems
List of protein (enzymes and PPIs) conformations and molecular dynamics using generative artificial intelligence and deep learning
Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)
[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)
List of protein (enzymes and PPIs) conformations and molecular dynamics using generative artificial intelligence and deep learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
A deep learning package for many-body potential energy representation and molecular dynamics
OpenMM is a toolkit for molecular simulation using high performance GPU code.
MDAnalysis is a Python library to analyze molecular dynamics simulations.
[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
A simple and fast python library to handle the data generated from molecular dynamics simulations
An interoperable Python framework for biomolecular simulation.
This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the University of Milano, originally inspired by https://github.com/pb3lab/i...