Package Name | Access | Summary | Updated |
---|---|---|---|
acemd3 | public | No Summary | 2024-01-02 |
openmm-torch | public | OpenMM plugin to define forces with neural networks | 2023-09-29 |
nnpops | public | High performance implementations of operations used in Neural Network Potentials | 2023-06-18 |
pytorch-geometric | public | No Summary | 2023-06-16 |
nnpops-pytorch | public | Optimized operations for the neural network potentials | 2023-06-16 |
openmm | public | A high performance toolkit for molecular simulation. | 2023-06-16 |
psi4 | public | No Summary | 2023-06-16 |