Torchani-step

Latest version: v2024.5.12.1

Safety actively analyzes 630901 Python packages for vulnerabilities to keep your Python projects secure.

2024.5.12.1

* There was a problem in the commandline for running TorchANI in a Docker container.

* Creating images for Docker automatically on release
* Added the energy and gradients for output to JSON for e.g. Energy Scan

* Handles energy and optimization.
* ANI-1x, ANI-1ccx, and ANI-2x models

* Plug-in created using the SEAMM plug-in cookiecutter.

Has known vulnerabilities