https://github.com/jparkhill/TensorMol
Tensorflow + Molecules = TensorMol
https://github.com/jparkhill/TensorMol
chemistry force-field machine-learning meta-dynamics molecular-dynamics molecular-simulation molecules monte-carlo neural-network simulation tensorflow
Last synced: 9 months ago
JSON representation
Tensorflow + Molecules = TensorMol
- Host: GitHub
- URL: https://github.com/jparkhill/TensorMol
- Owner: jparkhill
- License: gpl-3.0
- Created: 2016-10-28T19:40:11.000Z (about 9 years ago)
- Default Branch: master
- Last Pushed: 2021-02-11T00:12:00.000Z (almost 5 years ago)
- Last Synced: 2025-04-05T17:03:49.712Z (10 months ago)
- Topics: chemistry, force-field, machine-learning, meta-dynamics, molecular-dynamics, molecular-simulation, molecules, monte-carlo, neural-network, simulation, tensorflow
- Language: Python
- Homepage: http://blogs.nd.edu/parkhillgroup
- Size: 102 MB
- Stars: 274
- Watchers: 45
- Forks: 73
- Open Issues: 18
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Metadata Files:
- Readme: README.md
- Contributing: CONTRIBUTING.md
- License: COPYING