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@hachmannlab

hachmannlab

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  1. chemml chemml Public

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

    Python 153 29

  2. chemlg chemlg Public

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

    Python 18 6

  3. chemeco chemeco Public

    A General-Purpose Framework for Data Mining Without Coding.

    Python 10 1

  4. chembddb chembddb Public

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

    JavaScript 6 5

  5. chemhtps chemhtps Public

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

    Python 6 1

Repositories

Showing 6 of 6 repositories
  • chemml Public

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

    Python 153 BSD-3-Clause 29 5 2 Updated Oct 8, 2023
  • chembddb Public

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

    JavaScript 6 BSD-3-Clause 5 0 0 Updated Mar 19, 2021
  • chemlg Public

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

    Python 18 BSD-3-Clause 6 0 0 Updated Oct 16, 2020
  • chemhtps Public

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

    Python 6 BSD-3-Clause 1 0 0 Updated Aug 2, 2020
  • chemeco Public

    A General-Purpose Framework for Data Mining Without Coding.

    Python 10 BSD-3-Clause 1 0 1 Updated May 31, 2019
  • Slonimskii_method_vdW Public

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

    Python 2 0 0 0 Updated Feb 23, 2019

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