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read-gaussian-cube
read-gaussian-cube PublicForked from gkwt/read-gaussian-cube
Program used to read Gaussian cube file.
MATLAB 1
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OPLSAA-DB
OPLSAA-DB PublicForked from leelasd/OPLSAA-DB
Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Gromacs, NAMD, CHARMM, LAMMPS, TINKER, CNS/X-PLOR, Q, DESMOND, BO…
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moltemplate
moltemplate PublicForked from jewettaij/moltemplate
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
Python
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oplsaa-moltemplate
oplsaa-moltemplate PublicForked from BrianOn99/oplsaa-moltemplate
propane united atom with oplsaa_moltemplate.py fix
Python
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ANI1_dataset
ANI1_dataset PublicForked from isayev/ANI1_dataset
A data set of 20 million calculated off-equilibrium conformations for organic molecules
Python
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