Graphics Processing Units Molecular Dynamics
RCSB PDB apps and props based on Mol*
A JavaScript molecular graphics program
A protein active site alignment tool
Life like molecular computers with artificial chemistry.
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
TensorFlow Graphics: Differentiable Graphics Layers for TensorFlow
翻译 - TensorFlow图形：TensorFlow的可区分图形层
Molecular simulation in Julia
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
A no_std graphics library for embedded applications
Molecular dynamics simulation software
MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning
Search, molecular modeling and molecular docking of peptides.
Deep learning meets molecular dynamics.
Conversion tool for molecular simulations
Universal extensible molecular simulation engine
Cloud-based molecular simulations for everyone
Graph neural networks for molecular design.