alchemiscale 0.2.0
pip install alchemiscale==0.2.0
Newer version available (0.6.1)
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- License: MIT License (MIT)
- Author: OpenFE and OpenFF developers
- Requires: Python >=3.9
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alchemiscale
alchemiscale: a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home
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Unverified details
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- License: MIT License (MIT)
- Author: OpenFE and OpenFF developers
- Requires: Python >=3.9
Classifiers
- Development Status
- Intended Audience
- License
- Operating System
- Programming Language
- Topic
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