# choderalab/espaloma

<https://repo.masters-masters.com/en/repos/choderalab/espaloma>

[Home](https://repo.masters-masters.com/en) › [choderalab](https://repo.masters-masters.com/en/owners/choderalab) › [espaloma](https://repo.masters-masters.com/en/repos/choderalab/espaloma)

choderalab/espaloma has 283 stars on GitHub. Its RepoMasters card: Alpha tier. Extensible Surrogate Potential of Ab initio Learned and Optimized by…

| Field | Value |
| --- | --- |
| Owner | [choderalab](https://repo.masters-masters.com/en/owners/choderalab) |
| Stars | 283 |
| Forks | 31 |
| Language | [Python](https://repo.masters-masters.com/en/languages/python) |
| License | MIT |
| Created | 2020 |
| Topics | graph-learning, forcefield-parameterization |
| Tier | [Alpha (250 to 699 ★)](https://repo.masters-masters.com/en/ranks/b_movie) |
| View on GitHub | [choderalab/espaloma](https://github.com/choderalab/espaloma) |

## Repository

Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196

The tier for repos with 250 to 699 ★. Published odds per card pulled: 20%. Rarity: Uncommon.

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Data: GitHub · Illustration drawn by RepoMasters from the repo’s ID and its language color.
