openmm / NNPOpsLinks
High-performance operations for neural network potentials
☆93Updated 8 months ago
Alternatives and similar repositories for NNPOps
Users that are interested in NNPOps are comparing it to the libraries listed below
Sorting:
- High level API for using machine learning models in OpenMM simulations☆132Updated 3 weeks ago
- Force-field-enhanced Neural Networks optimized library☆61Updated last month
- Example to fit parameters and run CG simulations using TorchMD and Schnet☆47Updated 3 years ago
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆103Updated last year
- A package for all physics based/related models