Explore @hachmannlab Open Source projects

@hachmannlab

hachmannlab

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Registered over 6 years ago
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Python
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Location 🇺🇸 United States
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Python
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chemml

ChemML is a machine learning and informatics program suite for the chemical and materials sciences.

chemlg

ChemLG is a smart and massive parallel molecular library generator for chemical and materials sciences.

chemeco

A General-Purpose Framework for Data Mining Without Coding.

chemhtps

ChemHTPS is an automated high-throughput screening platform for generating materials and chemical data

chembddb

ChemBDDB is a big data database generator and toolkit for chemical and materials data.

Slonimskii_method_vdW

This script gives the van der Waals volume for the molecules based on the Slonimskii method.