Semiempirical Extended Tight-Binding Program Package
Accurate Neural Network Potential on PyTorch
Tensorflow + Molecules = TensorMol
ANI-1 neural net potential with python interface (ASE)
Tool to build force field input files for molecular simulation
A package for atom-typing as well as applying and disseminating forcefields
The Biochemical Algorithms Library
Differentiable molecular simulation of proteins with a coarse-grained po...
A physical property evaluation toolkit from the Open Forcefield Consortium.
Force field for ionic liquids
Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
Fragment molecules for quantum mechanics torsion scans
Repository for spectral neighbor analysis potential (SNAP) model develop...