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althonos
pyjess

Cython bindings and Python interface to Jess, a 3D template matching software for protein structures. Now 10x faster!

21K 10 0
pujanajmera
pycpet

Computing Protein Electric Field Topology in python, built for high-throughput accelerated calculations

2K 13 1
t-0hmura
pdb2reaction

End-to-end Reaction-Path Modeling from PDB Structures Using Machine-Learning Interatomic Potentials

2K 10 2
h-escoffier
wildkcat

Extract, Retrieve and Predict kcat values for a metabolic model

2K 6 0
rayhackett
enzymm

EnzyMM - Enzyme Motif Miner - Geometric matching of catalytic motifs in protein structures.

1K 39 2
t-0hmura
mlmm-toolkit

mlmm - ML/MM toolkit for enzyme reaction analysis

1K 15 4
willfinnigan
kinetics

Python code to run kinetic models of enzyme reactions

518 33 6
robaina
brendapyrser

A Python parser for the BRENDA database

367 33 10
ArnaudBelcour
bigecyhmm

Predict enzymatic impact on biogeochemical cycles from proteomes.

250 5 0