Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
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G Schnet | 101 | a year ago | mit | Python | ||||||
G-SchNet - a generative model for 3d molecular structures | ||||||||||
Cspred | 12 | 10 months ago | 3 | Jupyter Notebook | ||||||
UCBShift is a program for predicting chemical shifts for backbone atoms and β-carbon of a protein in solution. It utilizes a machine learning module that makes predictions from features extracted from the 3D structures of the proteins. | ||||||||||
Mofchecker | 12 | a year ago | 14 | October 05, 2021 | 32 | mit | Python | |||
Basic sanity checks for MOFs. | ||||||||||
Chemper | 12 | 2 years ago | 2 | May 31, 2022 | 17 | mit | Python | |||
Repository for Chemical Perception Sampling Tools | ||||||||||
Gaff Foyer | 5 | 3 years ago | 5 | Python | ||||||