| Package Name | Access | Summary | Updated |
|---|---|---|---|
| ambertools | public | AmberTools is a set of programs for biomolecular simulation and analysis | 2025-11-19 |
| openmm | public | A high performance toolkit for molecular simulation. | 2025-03-25 |
| dgl | public | A deep graph library | 2025-03-25 |
| gufe | public | gufe: good unuf for everyone | 2025-03-25 |
| openmm-ml | public | High level API for using machine learning models in OpenMM simulations | 2025-03-25 |
| pytorch-gpu | public | PyTorch is an optimized tensor library for deep learning using GPUs and CPUs. | 2025-03-25 |
| nnpops | public | High performance implementations of operations used in Neural Network Potentials | 2025-03-25 |
| hoomd | public | No Summary | 2025-03-25 |
| mbuild | public | A hierarchical, component based molecule builder. | 2025-03-25 |
| ipyext | public | IPython-extensions: more magic(s) for IPython | 2025-03-25 |
| plyplus | public | a friendly yet powerful LR-parser written in Python | 2025-03-25 |
