aiqm/torchani
TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network interatomic potentials. It was originally developed and is currently maintained by the Roitberg group.
540 stars and 4,825 monthly downloads. Used by 1 other package. Available on PyPI.
Stars
540
Forks
137
Language
Python
License
MIT
Category
Last pushed
Mar 04, 2026
Monthly downloads
4,825
Commits (30d)
0
Dependencies
13
Reverse dependents
1
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