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@MolCrafts

MolCrafts

Unified & Modern computational chemstry toolkits

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  1. molpy molpy Public

    [WIP] A data structure used to describe molecules in computational chemistry, just like numpy in data science

    Python 34 6

  2. molpot molpot Public

    [WIP] Machine Learning Molecular ForceField Training and Deploying Framework

    Python 3

  3. molana molana Public

    [WIP] Molecular dynamics analysis collection

    Python 1

  4. molvis molvis Public

    [WIP] Interactive visualization and editor for molecules

    TypeScript

  5. molexp molexp Public

    [WIP] Molecular experiment managerment

    Python

  6. chemfiles chemfiles Public

    Forked from chemfiles/chemfiles

    Library for reading and writing chemistry files

    C++

Repositories

Showing 10 of 14 repositories
  • molpy Public

    [WIP] A data structure used to describe molecules in computational chemistry, just like numpy in data science

    MolCrafts/molpy’s past year of commit activity
    Python 34 BSD-3-Clause 6 0 0 Updated Oct 5, 2024
  • molcrafts Public

    [WIP]

    MolCrafts/molcrafts’s past year of commit activity
    Shell 0 BSD-3-Clause 0 0 0 Updated Oct 4, 2024
  • molexp Public

    [WIP] Molecular experiment managerment

    MolCrafts/molexp’s past year of commit activity
    Python 0 BSD-3-Clause 0 0 3 Updated Oct 4, 2024
  • moldb Public

    [WIP] a multi-backend database for molecule storage

    MolCrafts/moldb’s past year of commit activity
    Jupyter Notebook 0 BSD-3-Clause 0 0 0 Updated Sep 30, 2024
  • molpot Public

    [WIP] Machine Learning Molecular ForceField Training and Deploying Framework

    MolCrafts/molpot’s past year of commit activity
    Python 3 BSD-3-Clause 0 0 0 Updated Sep 11, 2024
  • molcpp Public
    MolCrafts/molcpp’s past year of commit activity
    C++ 0 BSD-3-Clause 0 0 0 Updated Jul 25, 2024
  • molpack Public

    [WIP] Initial configurations generator for molecular simulations

    MolCrafts/molpack’s past year of commit activity
    Python 0 BSD-3-Clause 0 0 0 Updated Jul 18, 2024
  • moljs Public

    [WIP]

    MolCrafts/moljs’s past year of commit activity
    0 BSD-3-Clause 0 0 0 Updated Jun 21, 2024
  • molvis Public

    [WIP] Interactive visualization and editor for molecules

    MolCrafts/molvis’s past year of commit activity
    TypeScript 0 0 0 0 Updated Jun 18, 2024
  • chemfile-testcases Public Forked from chemfiles/tests-data

    Test files for chemfiles

    MolCrafts/chemfile-testcases’s past year of commit activity
    Arc 0 4 0 0 Updated May 24, 2024

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