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MolScore
MolScore PublicForked from MorganCThomas/MolScore
An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design
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neo4j-browser
neo4j-browser PublicForked from neo4j/neo4j-browser
Neo4j's client application. Query, visualize, manage.
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- pkasolver Public Forked from mayrf/pkasolver
toolkit for prediction pKa values of small molecules via graph convolutional networks
Standigm/pkasolver’s past year of commit activity - LigPosePred-MDL Public
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