Torchani

Latest version: v2.2.4

Safety actively analyzes 627655 Python packages for vulnerabilities to keep your Python projects secure.

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- Inference on Python 2.7 (171 , 172)

- Added ANI-1ccx model. (https://github.com/aiqm/torchani/pull/167)
- Added model zoo API. (https://github.com/aiqm/torchani/pull/169)

- Fix a bug of ASE interface giving zero forces when box size is 0 (165)
- Some fixes on Windows (161)
- Fix docs about installation (163)

* ASE interface
* YAML constructor for NeuroChem Trainer
* Version tag `torchani.__version__`

This is the first release of TorchANI

Has known vulnerabilities