zhenpengzhang Goto Github PK
Type: User
zhenpengzhang's Projects
autotst
AutoTST: A framework to perform automated transition state theory calculations
cclib
Parsers and algorithms for computational chemistry logfiles
fit_a_n_e
Fit_A_n_E
literature
mechasvg
Python application for creating energy profile diagrams as '.svg' files. Extra analysis for catalytic cycle diagrams.
ml-prediction-for-rates
ml_rateconstants
A machine learning method to predict rate constants for various reactions in combustion kinetic models
nnrate
oilwaterinterface
pysens
Python wrapper to do sensitivity analysis with CHEMKIN-Pro
reaction_rate_prediction
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