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Search results for molecule density

density x
molecule x
9 search results found
Thermo ⭐ 517
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
Critic2 ⭐ 85
Analysis of quantum chemical interactions in molecules and solids.
Ani1x_datasets ⭐ 37
The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for organic molecules.
Helfem ⭐ 30
Finite element methods for electronic structure calculations on small systems
Matlab_real_space ⭐ 15
Electronic structure code for molecules and clusters
Chmpy ⭐ 15
Spherical harmonic shape descriptors, promolecule densities, isosurfaces and Hirshfeld surfaces in python
Apdft ⭐ 13
APDFT calculates quantumchemical results for many molecules at once.
Nciplot ⭐ 13
Non-covalent index plots in molecular systems.
Defcon ⭐ 8
Single molecule density estimation by fully convolutional neural networks
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1-9 of 9 search results
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