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carbon
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G Schnet
⭐
101
G-SchNet - a generative model for 3d molecular structures
Cspred
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12
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
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12
Basic sanity checks for MOFs.
Chemper
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12
Repository for Chemical Perception Sampling Tools
Gaff Foyer
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5
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