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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 36 6

  2. molpot molpot Public

    [WIP] Machine Learning Molecular ForceField Training and Deploying Framework

    Python 5

  3. molana molana Public

    [WIP] Molecular dynamics analysis collection

    Python 1

  4. molexp molexp Public

    [WIP] Molecular experiment managerment

    Python

  5. chemfiles chemfiles Public

    Forked from chemfiles/chemfiles

    Library for reading and writing chemistry files

    C++

  6. chemfile-testcases chemfile-testcases Public

    Forked from chemfiles/tests-data

    Test files for chemfiles

    Arc

Repositories

Showing 10 of 17 repositories
  • index Public
    MolCrafts/index’s past year of commit activity
    TypeScript 0 MIT 0 0 0 Updated Mar 28, 2025
  • molpot Public

    [WIP] Machine Learning Molecular ForceField Training and Deploying Framework

    MolCrafts/molpot’s past year of commit activity
    Python 5 BSD-3-Clause 0 1 0 Updated Mar 28, 2025
  • features Public
    MolCrafts/features’s past year of commit activity
    Shell 0 MIT 0 0 1 Updated Mar 24, 2025
  • molvis Public

    [WIP] interactive molecule visualization lib

    MolCrafts/molvis’s past year of commit activity
    TypeScript 0 BSD-3-Clause 0 0 0 Updated Mar 22, 2025
  • 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 36 BSD-3-Clause 6 0 0 Updated Mar 18, 2025
  • 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 Mar 18, 2025
  • molcrafts Public

    [WIP]

    MolCrafts/molcrafts’s past year of commit activity
    Shell 0 BSD-3-Clause 0 0 0 Updated Mar 10, 2025
  • molcpp Public
    MolCrafts/molcpp’s past year of commit activity
    C++ 0 BSD-3-Clause 0 0 0 Updated Jan 26, 2025
  • molexp Public

    [WIP] Molecular experiment managerment

    MolCrafts/molexp’s past year of commit activity
    Python 0 BSD-3-Clause 0 0 3 Updated Jan 24, 2025
  • molpack Public

    [WIP] Initial configurations generator for molecular simulations

    MolCrafts/molpack’s past year of commit activity
    Jupyter Notebook 0 BSD-3-Clause 0 0 0 Updated Jan 13, 2025
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