espaloma
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹 https://arxiv.org/abs/2010.01196
| Name | Type | Version | Platform | Labels | Updated | Size | Downloads | Actions |
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noarch/espaloma-0.4.0-pyhd8ed1ab_1.conda | conda | 0.4.0 | noarch | main | 10 days ago | 118.8 KB | 385 | |
noarch/espaloma-0.4.0-pyhd8ed1ab_0.conda | conda | 0.4.0 | noarch | main | Jun 26, 2025, 04:57 PM | 118.68 KB | 5.1K | |
noarch/espaloma-0.3.2-pyhd8ed1ab_1.conda | conda | 0.3.2 | noarch | main | May 16, 2025, 05:05 AM | 117.25 KB | 920 | |
noarch/espaloma-0.3.2-pyhd8ed1ab_0.conda | conda | 0.3.2 | noarch | main | Sep 22, 2023, 09:13 PM | 99.9 KB | 5.4K | |
noarch/espaloma-0.3.1-pyhd8ed1ab_2.conda | conda | 0.3.1 | noarch | main | Sep 19, 2023, 08:44 PM | 99.54 KB | 2.4K | |
noarch/espaloma-0.3.1-pyhd8ed1ab_1.conda | conda | 0.3.1 | noarch | main | Jul 16, 2023, 08:37 PM | 99.31 KB | 2.5K | |
noarch/espaloma-0.3.1-pyhd8ed1ab_0.conda | conda | 0.3.1 | noarch | main | Jul 16, 2023, 05:55 PM | 99.22 KB | 1.8K | |
noarch/espaloma-0.3.1-pyh6032020_0.conda | conda | 0.3.1 | noarch | espaloma_rc | Jul 16, 2023, 04:29 PM | 99.31 KB | 16 | |
noarch/espaloma-0.2.4-pyhd8ed1ab_1.tar.bz2 | conda | 0.2.4 | noarch | main | Sep 30, 2022, 07:40 PM | 93.12 KB | 6.6K | |
noarch/espaloma-0.2.3-pyhd8ed1ab_1.tar.bz2 | conda | 0.2.3 | noarch | main | Sep 26, 2022, 07:04 PM | 92.92 KB | 2.2K | |
noarch/espaloma-0.2.3-pyhd8ed1ab_0.tar.bz2 | conda | 0.2.3 | noarch | main | Jul 13, 2022, 09:31 PM | 92.82 KB | 5.4K | |
noarch/espaloma-0.2.2-pyhd8ed1ab_0.tar.bz2 | conda | 0.2.2 | noarch | main | Jun 2, 2022, 06:36 PM | 92.26 KB | 2.6K |