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Search results for python enzyme

23 search results found

Enzynet ⭐ 188

EnzyNet: enzyme classification using 3D convolutional neural networks on spatial representation

Python module for prior knowledge integration. Builds databases of signaling pathways, enzyme-substrate interactions, complexes, annotations and intercellular communication roles.

Pathparser ⭐ 84

Toolbox for including enzyme constraints on a genome-scale model.

Enzyme models that take into account kinetics, allostery and thermodynamics

SnapHiC: Single Nucleus Analysis Pipeline for Hi-C Data

KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.

A python implementation of the Statistical Coupling Analysis (SCA)

CADEE: Computer-Aided Directed Evolution of Enzymes

Brendapyrser ⭐ 14

A Python parser for the BRENDA database

Bandwitch ⭐ 13

💫 Computer-aided DNA assembly validation and identification from restriction digests.

Cazy Parser ⭐ 11

A way to extract specific information from CAZy

Enlighten2 ⭐ 11

Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems

Kinetics ⭐ 10

Python package for modelling enzyme reactions using Monte carlo sampling from parameter distributions

Brenda Parser ⭐ 10

Classes to parse the BRENDA database.

Cazy_webscraper ⭐ 10

Web scraper to retrieve protein data catalogued by the CAZy, UniProt, NCBI, GTDB and PDB websites/databases.

A machine learning model for the prediction of optimal growth temperature of microorganisms and enzyme catalytic optima

A spatially explicit trait- and individual-based microbial systems modelling framework

✂️ Design compact restriction sites arrays (python utility)

Quantumpdb ⭐ 7

Workflow for generate a database of proteins with quantum properties

QM/DMD engine. Protein Hybrid Discrete Dynamics/DFT

Microberx ⭐ 5

Enzyme Classification ⭐ 5

Predict the enzyme class of a given FASTA sequence using deep learning methods including CNNs, LSTM, BiLSTM, GRU, and attention models along with a host of other ML methods.

ICEKAT: An interactive online tool for calculating initial rates from continuous enzyme kinetic traces

Hierarchical Pooling ⭐ 5

Implemenation of the paper "Towards Sparse Hierarchical Graph Classifier" tested on Enzymes and Proteins datasets using Python 3.6 and Tensorflow 2.0.

Geo Scattering Graph Data ⭐ 5

Code repository for the paper "Geometric Scattering for Graph Data Analysis"

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