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uibcdf--molsysmt
uibcdf--molsysmt Public复刻ed from uibcdf/molsysmt
Open source library to work with molecular systems
Python
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uibcdf--molsysviewer
uibcdf--molsysviewer Public复刻ed from uibcdf/molsysviewer
A Mol*-powered 3D viewer for molecular systems, integrated naturally within the MolSysSuite ecosystem.
Python
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uibcdf--pharmacophoremt
uibcdf--pharmacophoremt Public复刻ed from uibcdf/pharmacophoremt
A Pharmacophore MultiToolkit designed to simplify and streamline the detection, generation, analysis, comparison, and application of pharmacophore models in drug-design strategies.
Jupyter Notebook
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uibcdf--topomt
uibcdf--topomt Public复刻ed from uibcdf/topomt
A Molecular Topography MultiToolkit designed to simplify and streamline the detection, analysis, and characterization of protein pockets, cavities, channels, and binding sites.
Jupyter Notebook
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uibcdf--OpenPharmacophore
uibcdf--OpenPharmacophore Public复刻ed from uibcdf/OpenPharmacophore
An open library to work with pharmacophores.
Python
仓库
- cclib--cclib Public 复刻ed from cclib/cclib
Parsers and algorithms for computational chemistry logfiles
- biojava--biojava Public 复刻ed from biojava/biojava
📖🔬☕ BioJava is an open-source project dedicated to providing a Java library for processing biological data.
- OpenChemistry--avogadrolibs Public 复刻ed from OpenChemistry/avogadrolibs
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
- broadinstitute--gatk Public 复刻ed from broadinstitute/gatk
Official code repository for GATK versions 4 and up
- RBVI--ChimeraX Public 复刻ed from RBVI/ChimeraX
Source code for molecular graphics program UCSF ChimeraX
- deepmodeling--deepmd-kit Public 复刻ed from deepmodeling/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
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