OpenChemistry / openchemistry
Supermodule containing submodules and external project to build all components
☆83Updated last week
Alternatives and similar repositories for openchemistry:
Users that are interested in openchemistry are comparing it to the libraries listed below
- The Biochemical Algorithms Library☆72Updated 2 years ago
- Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, …☆197Updated this week
- A C++ library for molecular modelling, cheminformatics and molecular visualization.☆54Updated 2 years ago
- Library for reading and writing chemistry files☆170Updated 10 months ago
- Molecular Dynamics in the Open☆74Updated 2 weeks ago
- The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time i…☆68Updated last year
- Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at htt…☆336Updated 3 years ago
- Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, …☆70Updated 3 years ago
- The pure C++ implementation of the MMTF API, decoder and encoder.☆21Updated last year
- XDrawChem is a two-dimensional molecule drawing program.☆38Updated 4 years ago
- Sire Molecular Simulations Framework☆94Updated last year
- Modern and fast molecular analysis and modeling library for C++ and Python☆36Updated 8 months ago
- Computational Crystallography Toolbox☆234Updated this week
- Biomolecular simulation trajectory/data analysis.☆141Updated 2 weeks ago
- The IUCr CIF core dictionary☆17Updated last month
- The MolScript program produces publication-quality images of macromolecular 3D structures.☆38Updated 2 years ago
- ☆28Updated 2 months ago
- Collective variables library for molecular simulation and analysis programs☆217Updated this week
- A Framework for Metropolis Monte Carlo Simulation of Molecular Systems☆68Updated 2 months ago
- Tinker9: Next Generation of Tinker with GPU Support☆50Updated last year
- Macromolecular viewer for crystallographers (WebGL)☆38Updated 8 months ago
- Scripts, tools, documentation and supporting libraries and files for building pre-compiled LAMMPS packages☆21Updated 5 months ago
- Development of the Chemical JSON data representation☆63Updated 7 months ago
- Desktop integration of high performance computing resources☆26Updated 3 months ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆59Updated 2 years ago
- LOOS: a lightweight object-oriented structure analysis library☆122Updated 2 months ago
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆183Updated last year
- A framework for rapidly mining structural information from the Protein Data Bank☆52Updated 4 years ago
- 2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.js☆77Updated 6 years ago
- Catalog of Open Source Molecular Modeling Projects☆95Updated 2 years ago