NequIP is a code for building E(3)-equivariant interatomic potentials
The Open Forcefield Toolkit provides implementations of the SMIRNOFF for...
Allegro is an open-source code for building highly scalable and accurate...
A general cross-platform tool for preparing simulations of molecules and...
Pretrained universal neural network potential for charge-informed atomi...
[ICLR'23 Spotlight] Equiformer: Equivariant Graph Attention Transformer ...
[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to ...
Tinker: Software Tools for Molecular Design
UF3: a python library for generating ultra-fast interatomic potentials
Tinker9: Next Generation of Tinker with GPU Support
PyStokes: phoresis and Stokesian hydrodynamics in Python