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- chemml Public
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
- chembddb Public
ChemBDDB is a big data database generator and toolkit for chemical and materials data.
- chemlg Public
ChemLG is a smart and massive parallel molecular library generator for chemical and materials sciences.
- chemhtps Public
ChemHTPS is an automated high-throughput screening platform for generating materials and chemical data
- Slonimskii_method_vdW Public
This script gives the van der Waals volume for the molecules based on the Slonimskii method.
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