renan991995 Goto Github PK
Name: Chen-Hsuan Huang
Type: User
Company: National Taiwan University
Location: Taipei, Taiwan
Chen-Hsuan Huang's Projects
armd
automaticreactiondiscovery
Using quantum chemical computation to find important reactions without requiring human intuition.
cosmosac
A Benchmark Implementation of COSMO-SAC
mars
MARS, Molecular Assembling and Representation Suite, is a program for general purpose computer aided molecular design. This program uses an integer arry data structure to store the information of atom type, atom connectivity, and bond order of a molecule. There are also subroutines that can be used to modify the data structure in order to generate new molecules. This program is espicially useful for computer molecular design problems.
mars-plus
MARS+: Molecular Assembly and Representation Suite - Plus
mars-plus-iterdesigndata
mars-plus-wins
The Windows version of MARS+ (Molecular Assembly and Representation Suite - Plus)
thermo
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
transvae
A Transformer Based VAE Architecture for De Novo Molecular Design
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