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InsiliChem / packages

Package Name Access Summary Updated
oasa public OASA is a free cheminformatics library written in Python 2025-03-25
bkchem public BKChem is a free molecular drawing program 2025-03-25
tangram_taladraw public UCSF Chimera extension to build 3D structures out of two-dimensional sketches 2025-03-25
tangram public A collection of molecular modelling tools for UCSF Chimera 2025-03-25
tangram_qmsetup public QM and QM/MM calculations setup for UCSF Chimera 2025-03-25
libtangram public Common code for all Tangram extensions 2025-03-25
gaudiview public UCSF Chimera extension to explore and analyze GaudiMM & GOLD solutions 2025-03-25
tangram_vinarelaunch public Easily relaunch failed AutoDock Vina OPAL jobs from UCSF Chimera 2025-03-25
tangram_subalign public Use RDKit to align small molecules in UCSF Chimera 2025-03-25
tangram_snfg public 3D implementation of The Symbol Nomenclature For Glycans (SNFG) for UCSF Chimera 2025-03-25
tangram_selection public Experimental Tk widget to select items in UCSF Chimera a la Excel 2025-03-25
tangram_propkagui public UCSF Chimera extension to depict PropKa 3.1 results 2025-03-25
tangram_popmusicgui public Depict and apply the predictions made by PoPMuSiC calculations in UCSF Chimera 2025-03-25
tangram_orbitraj public Modification of UCSF Chimera's MD Movie extension to play volumetric data 2025-03-25
tangram_normalmodes public An UCSF Chimera interface to perform Normal Mode Analysis (NMA) with ProDy 2025-03-25
tangram_nciplot public UCSF Chimera extension to run and visualize NCIPlot calculations 2025-03-25
tangram_mmsetup public Setup MD calculations with OpenMM and ommprotocol 2025-03-25
tangram_dummyatoms public Easy to prepare MD inputs for metal systems 2025-03-25
tangram_cauchian public QM and QM/MM calculations setup for UCSF Chimera 2025-03-25
tangram_bondorder public Bond order perception extension for UCSF Chimera 2025-03-25
prody public A Python Package for Protein Dynamics Analysis 2025-03-25
propka public pKa predictions for 3D structures 2025-03-25
tkintertable public Extendable table class for Tkinter 2025-03-25
drugscorex public A Knowledge-Based Scoring Function for the Assessment of Protein–Ligand Complexes (article: https://pubs.acs.org/doi/abs/10.1021/ci200274q) 2025-03-25
nwchem public Open Source High-Performance Computational Chemistry [BROKEN build! Use your distro package manager in the meantime] 2025-03-25
autodocktools-prepare public AutoDockTools, or ADT, is the free GUI for AutoDock developed by the same laboratory that develops AutoDock. 2025-03-25
esigen public Generate Supporting Information reports for Comp Chem studies. 2025-03-25
cunci public No Summary 2025-03-25
gaudi public Genetic Algorithms with Unrestricted Descriptors for Intuitive Molecular Modeling 2025-03-25
gaudinspect public A full GUI for launching GaudiMM jobs, analyze their progress, and examine the results. 2025-03-25
nciplot public No Summary 2025-03-25
deap public Distributed Evolutionary Algorithms in Python 2025-03-25
pychimera public Use UCSF Chimera Python API in a standard Python 2.7 interpreter. 2025-03-25
ommprotocol public Easy to deploy MD protocols for OpenMM 2025-03-25

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