https://github.com/ghutchis/conformer-scoring
Data and scripts relevant to an evaluation of force field methods for conformer scoring
https://github.com/ghutchis/conformer-scoring
chemistry conformer-scoring dft force-fields molecules pm7
Last synced: 6 months ago
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Data and scripts relevant to an evaluation of force field methods for conformer scoring
- Host: GitHub
- URL: https://github.com/ghutchis/conformer-scoring
- Owner: ghutchis
- License: mit
- Created: 2016-08-03T22:17:19.000Z (almost 9 years ago)
- Default Branch: master
- Last Pushed: 2023-11-09T11:46:04.000Z (over 1 year ago)
- Last Synced: 2024-11-29T02:13:57.562Z (6 months ago)
- Topics: chemistry, conformer-scoring, dft, force-fields, molecules, pm7
- Language: Python
- Size: 25.4 MB
- Stars: 4
- Watchers: 3
- Forks: 4
- Open Issues: 2