Published July 12, 2019
| Version 0.1.1
Software
Open
chemreps/chemreps: Molecular Machine Learning Representations
Description
The first beta release for chemreps implementing Coulomb Matrix, Bag of Bonds, and Bond Angle Torsion representations.
Files
chemreps/chemreps-0.1.1.zip
Files
(58.5 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:da8995208f46e7a40b3c369df5089643
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58.5 kB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/chemreps/chemreps/tree/0.1.1 (URL)