PrototypeCommon
isayev/ANI1_dataset
A data set of 20 million calculated off-equilibrium conformations for organic molecules
- Owner
- isayev (personal account)
- Stars
- Stars: 106
- Forks
- Forks: 18
- Language
- Python
- License
- MIT
- Created
- 2017
- Topics
- machine-learningopendatachemistrycheminformaticsmolecular-structuresmolecular-modeling
- Tier
- Prototype (100 to 249 ★) What this tier means
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