chemoinformatics | Topic | Ecosyste.ms: Repos

Topic: "chemoinformatics"

ysig/GraKeL

A scikit-learn compatible library for graph kernels

Language: Python - Size: 26.4 MB - Last synced at: 3 days ago - Pushed at: 7 months ago - Stars: 618 - Forks: 100

chembl/chembl_webresource_client

Official Python client for accessing ChEMBL API

Language: Python - Size: 2.18 MB - Last synced at: 8 days ago - Pushed at: 4 months ago - Stars: 402 - Forks: 96

Marsilea-viz/marsilea

Declarative creation of composable visualization for Python (Complex heatmap, Upset plot, Oncoprint and more~)

Language: Python - Size: 47 MB - Last synced at: 14 days ago - Pushed at: 14 days ago - Stars: 265 - Forks: 10

ismorphism/DeepECG

ECG classification programs based on ML/DL methods

Language: Python - Size: 96.2 MB - Last synced at: 7 months ago - Pushed at: 7 months ago - Stars: 239 - Forks: 86

DrrDom/crem

CReM: chemically reasonable mutations framework

Language: Jupyter Notebook - Size: 485 KB - Last synced at: 10 days ago - Pushed at: 10 days ago - Stars: 231 - Forks: 40

Mishima-syk/py4chemoinformatics

Python for chemoinformatics

Language: Jupyter Notebook - Size: 33.8 MB - Last synced at: about 2 months ago - Pushed at: almost 4 years ago - Stars: 226 - Forks: 91

scikit-fingerprints/scikit-fingerprints

Scikit-learn compatible library for molecular fingerprints

Language: Python - Size: 3.98 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 215 - Forks: 15

Global-Chem/global-chem

A Knowledge Graph of Common Chemical Names to their Molecular Definition

Language: Jupyter Notebook - Size: 113 MB - Last synced at: about 1 month ago - Pushed at: 4 months ago - Stars: 162 - Forks: 21

BioSystemsUM/DeepMol

DeepMol: A Machine and Deep Learning Framework for Computational Chemistry

Language: Python - Size: 166 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 149 - Forks: 13

jajupmochi/graphkit-learn

A python package for graph kernels, graph edit distances, and graph pre-image problem.

Language: Jupyter Notebook - Size: 436 MB - Last synced at: 16 days ago - Pushed at: about 1 year ago - Stars: 124 - Forks: 18

topazape/LSTM_Chem

Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.

Language: Jupyter Notebook - Size: 418 MB - Last synced at: 3 days ago - Pushed at: over 2 years ago - Stars: 117 - Forks: 57

MolecularAI/DockStream 📦

DockStream: A Docking Wrapper to Enhance De Novo Molecular Design

Language: Python - Size: 15.3 MB - Last synced at: 8 days ago - Pushed at: about 2 years ago - Stars: 116 - Forks: 33

DrrDom/pmapper

3D pharmacophore signatures and fingerprints

Language: Python - Size: 821 KB - Last synced at: 11 days ago - Pushed at: 4 months ago - Stars: 103 - Forks: 24

Mishima-syk/psikit

psi4+RDKit

Language: Python - Size: 803 KB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 101 - Forks: 22

molinfo-vienna/CDPKit

The Chemical Data Processing Toolkit

Language: C++ - Size: 417 MB - Last synced at: 5 days ago - Pushed at: 5 days ago - Stars: 88 - Forks: 11

joofio/py4chemoinformatics Fork of Mishima-syk/py4chemoinformatics

Python for chemoinformatics

Language: Jupyter Notebook - Size: 24.3 MB - Last synced at: about 2 years ago - Pushed at: over 4 years ago - Stars: 88 - Forks: 26

zotko/xyz2graph

Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.

Language: Python - Size: 7.61 MB - Last synced at: 2 days ago - Pushed at: 2 days ago - Stars: 86 - Forks: 23

OSU-NLP-Group/ScienceAgentBench

[ICLR'25] ScienceAgentBench: Toward Rigorous Assessment of Language Agents for Data-Driven Scientific Discovery

Language: Python - Size: 172 MB - Last synced at: 21 days ago - Pushed at: about 1 month ago - Stars: 81 - Forks: 11

BALL-Project/ball

The Biochemical Algorithms Library

Language: C++ - Size: 152 MB - Last synced at: over 1 year ago - Pushed at: almost 3 years ago - Stars: 69 - Forks: 31

xieguigang/mzkit

Data toolkits for processing NMR, MALDI MSI, MALDI single cell, Raman Spectroscopy, LC-MS and GC-MS raw data, chemoinformatics data analysis and data visualization.

Language: Visual Basic .NET - Size: 504 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 60 - Forks: 17

PaccMann/chemical_representation_learning_for_toxicity_prediction

Chemical representation learning paper in Digital Discovery

Language: Jupyter Notebook - Size: 975 KB - Last synced at: 1 day ago - Pushed at: 12 months ago - Stars: 60 - Forks: 15

chembl/GLaDOS

Web Interface for ChEMBL @ EMBL-EBI

Language: JavaScript - Size: 43.5 MB - Last synced at: 5 months ago - Pushed at: about 3 years ago - Stars: 46 - Forks: 6

topazape/molecular-VAE

Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules

Language: Python - Size: 2.09 GB - Last synced at: 3 days ago - Pushed at: about 4 years ago - Stars: 46 - Forks: 19

chembience/chembience

A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.

Language: Python - Size: 4.17 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 44 - Forks: 3

arpitnarechania/d3-molecule

D3 based interactive visualization library + tool to make render atoms and molecules learning chemical bonding in a fun way.

Language: HTML - Size: 1.11 MB - Last synced at: 29 days ago - Pushed at: about 7 years ago - Stars: 44 - Forks: 16

DrugBud-Suite/CADD_Vault

Language: HTML - Size: 17.7 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 43 - Forks: 5

lhm30/PIDGINv3

Protein target prediction using random forests and reliability-density neighbourhood analysis

Language: Python - Size: 5.27 MB - Last synced at: about 1 month ago - Pushed at: about 5 years ago - Stars: 40 - Forks: 14

ManzoorElahi/organic-chemistry-reaction-prediction-using-NMT

organic chemistry reaction prediction using NMT with Attention

Language: Python - Size: 58.9 MB - Last synced at: over 1 year ago - Pushed at: over 6 years ago - Stars: 36 - Forks: 10

Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides actionable insights. The toolkit provides a program interface to several Computer-Aided Synthesis Prediction tools, allowing users to devise and calculate metrics on predicted Chemical Synthetic Routes.

Language: Python - Size: 1.29 MB - Last synced at: 11 days ago - Pushed at: 11 days ago - Stars: 35 - Forks: 6

qcscine/molassembler

Chemoinformatics toolkit with support for inorganic molecules

Language: C++ - Size: 10.3 MB - Last synced at: about 1 month ago - Pushed at: 9 months ago - Stars: 35 - Forks: 7

metgem/metgem

Calculation and visualization of molecular networks based on t-SNE algorithm

Language: Python - Size: 18.3 MB - Last synced at: about 1 month ago - Pushed at: 4 months ago - Stars: 33 - Forks: 5

ci-lab-cz/pharmd

MD pharmacophores and virtual screening

Language: Python - Size: 45.9 KB - Last synced at: 10 days ago - Pushed at: over 1 year ago - Stars: 33 - Forks: 17

lhm30/PIDGINv2

PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)

Language: Python - Size: 35.9 MB - Last synced at: about 1 month ago - Pushed at: almost 6 years ago - Stars: 30 - Forks: 8

Accio/AMIDD

Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)

Language: TeX - Size: 220 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 28 - Forks: 10

PaccMann/paccmann_datasets

pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/

Language: Python - Size: 6.01 MB - Last synced at: 5 days ago - Pushed at: 7 months ago - Stars: 28 - Forks: 7

AndMastro/EdgeSHAPer

EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks

Language: Jupyter Notebook - Size: 2.13 GB - Last synced at: 17 days ago - Pushed at: 17 days ago - Stars: 26 - Forks: 1

Croydon-Brixton/pymol-remote

Send data to and from pymol from a remote server (e.g. a cluster running deep learning workflows)

Language: Python - Size: 779 KB - Last synced at: 23 days ago - Pushed at: 3 months ago - Stars: 26 - Forks: 3

MolecularAI/DockStreamCommunity 📦

Language: Jupyter Notebook - Size: 9.2 MB - Last synced at: 4 months ago - Pushed at: about 2 years ago - Stars: 26 - Forks: 13

ci-lab-cz/crem-dock

CReM-dock: generation of chemically reasonable molecules guided by molecular docking

Language: Python - Size: 980 KB - Last synced at: 2 days ago - Pushed at: about 2 months ago - Stars: 24 - Forks: 4

mawansui/pubchemprops

A convenient wrapper around PubChem PUG REST API that allows to search for many compound properties available at PubChem with ease

Language: Python - Size: 19.5 KB - Last synced at: 2 days ago - Pushed at: over 7 years ago - Stars: 24 - Forks: 8

UnixJunkie/smi2sdf3d

3D diverse conformers generation using rdkit

Language: Python - Size: 34.2 KB - Last synced at: about 1 month ago - Pushed at: about 3 years ago - Stars: 23 - Forks: 12

josejimenezluna/molgrad

Supporting code for doi 10.1021/acs.jcim.0c01344

Language: Jupyter Notebook - Size: 9.18 MB - Last synced at: 29 days ago - Pushed at: over 2 years ago - Stars: 22 - Forks: 8

longemen3000/ChemicalIdentifiers.jl

chemical identifiers (CAS, PubChemID, SMILES,InChI, InChI keys, names) from text search

Language: Julia - Size: 57.6 KB - Last synced at: 30 days ago - Pushed at: 6 months ago - Stars: 21 - Forks: 1

N720720/lindemann

lindemann is a python package to calculate the Lindemann index of a lammps trajectory

Language: Python - Size: 20.5 MB - Last synced at: 25 days ago - Pushed at: 11 months ago - Stars: 21 - Forks: 6

mhyeok1/dand

Dandelion - Codes for automated and efficient sampling of chemical reaction space for MLIP training

Language: Python - Size: 2.73 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 20 - Forks: 0

l-ramirez-lopez/resemble

resemble is an R package which implements functions dedicated to non-linear modelling of complex spectroscopy data

Language: R - Size: 26.1 MB - Last synced at: 16 days ago - Pushed at: about 1 year ago - Stars: 20 - Forks: 14

UnixJunkie/molenc

MolEnc: a molecular encoder using rdkit and OCaml.

Language: OCaml - Size: 9.04 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 19 - Forks: 2

UnixJunkie/ACPC

Chemoinformatics tool for ligand-based virtual screening

Language: OCaml - Size: 673 KB - Last synced at: about 1 month ago - Pushed at: over 2 years ago - Stars: 19 - Forks: 2

Kzra/pykrev

FT-MS data analysis with Python

Language: Python - Size: 109 MB - Last synced at: 21 days ago - Pushed at: 7 months ago - Stars: 15 - Forks: 5

mldlproject/2021-iCYP-MFE

Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecular Fingerprint-embedded Encoding"

Language: Python - Size: 10.8 MB - Last synced at: 6 months ago - Pushed at: almost 2 years ago - Stars: 15 - Forks: 3

josejimenezluna/xaibench_tf

Supporting models and data to doi 10.1021/acs.jcim.1c01163

Language: Jupyter Notebook - Size: 299 KB - Last synced at: 29 days ago - Pushed at: over 2 years ago - Stars: 15 - Forks: 3

mathcom/RefDNN

RefDNN: a reference drug based neural network for more accurate prediction of anticancer drug resistance (Scientific Reports)

Language: Python - Size: 40.3 MB - Last synced at: about 1 year ago - Pushed at: about 3 years ago - Stars: 12 - Forks: 12

PaccMann/paccmann_gp

PyTorch/skopt based implementation of Bayesian optimization with Gaussian processes - build to optimize latent spaces of VAEs to generate molecules with desired properties

Language: Python - Size: 48.7 MB - Last synced at: about 1 month ago - Pushed at: about 1 year ago - Stars: 11 - Forks: 5

fkaiserbio/fit3d

🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data.

Language: Java - Size: 17.9 MB - Last synced at: about 1 month ago - Pushed at: over 6 years ago - Stars: 11 - Forks: 2

MMVSL/VenomPred2.0

VenomPred 2.0 API

Size: 230 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 10 - Forks: 1

laylagerami/MAVEN

Elucidate and visualise a compound's mechanism of action by combining structure-based target prediction with gene expression-based causal reasoning, plus pathway enrichment to put results into biological context. GUI-based (minimal coding experience required).

Language: R - Size: 19.7 MB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 9 - Forks: 0

cbouy/molhighlighter

Multicolored substructure highlights made easy

Language: Jupyter Notebook - Size: 187 KB - Last synced at: about 1 month ago - Pushed at: about 3 years ago - Stars: 9 - Forks: 2

LiamWilbraham/pychemlp

Easy-to-use python module for training multi-layer perceptrons (neural networks) from molecular SMILES and known associated properties

Language: Python - Size: 11.9 MB - Last synced at: over 1 year ago - Pushed at: about 6 years ago - Stars: 9 - Forks: 5

IsrC11/MAYA

Module containing an script to perform a chemical multiverse integrating several molecular representations to generate multipe chemical spaces to provide a depper analysis of structure multiple activity relationships

Language: Python - Size: 15.7 MB - Last synced at: 26 days ago - Pushed at: 26 days ago - Stars: 8 - Forks: 1

TinacciL/Isomers_generator

Python code for generating all the possible molecules starting from a chemical formula

Language: Jupyter Notebook - Size: 463 KB - Last synced at: 18 days ago - Pushed at: over 1 year ago - Stars: 8 - Forks: 0

UnixJunkie/consent

ligand-based virtual screening with consensus queries

Language: OCaml - Size: 144 KB - Last synced at: about 1 month ago - Pushed at: over 1 year ago - Stars: 8 - Forks: 4

singa-bio/singa

:leaves: SiNGA (Simulation of Natural Systems using Graph Automata) is an open-source library containing tools especially for structural bioinformatics and systems biology.

Language: Java - Size: 12.8 MB - Last synced at: 6 months ago - Pushed at: over 2 years ago - Stars: 8 - Forks: 2

yamasakih/docker-compose-razi

docker-compose + JupyterNotebook + RDKit database cartridge + PostgreSQL

Language: Jupyter Notebook - Size: 537 KB - Last synced at: about 2 years ago - Pushed at: over 6 years ago - Stars: 8 - Forks: 6

UnixJunkie/hts_shrink

Reference implementation of the Distance-Based Boolean Applicability Domain for HTS datasets

Language: OCaml - Size: 2.55 MB - Last synced at: about 1 month ago - Pushed at: over 1 year ago - Stars: 7 - Forks: 2

UnixJunkie/chemoinfo_recipes

Command line recipes for the working chemoinformatician

Size: 33.2 KB - Last synced at: about 2 months ago - Pushed at: about 3 years ago - Stars: 7 - Forks: 0

MoseleyBioinformaticsLab/ctfile

Parser for chemical table file (CTfile) a family of text-based chemical file formats (e.g. Molfile, SDfile) that describe molecules and chemical reactions.

Language: Python - Size: 1.42 MB - Last synced at: 26 days ago - Pushed at: about 3 years ago - Stars: 7 - Forks: 3

KCF-Convoy/kcfconvoy

Python package to convert KCF chemical substructure fingerprints

Language: Jupyter Notebook - Size: 6.79 MB - Last synced at: 12 days ago - Pushed at: almost 4 years ago - Stars: 7 - Forks: 4

SheffieldChemoinformatics/missing-data-multitask-methods

This repository contains the data sets, the code and the results that were reported on the article "Effect of missing data on multitask prediction methods", found at

Language: Python - Size: 241 MB - Last synced at: almost 2 years ago - Pushed at: almost 6 years ago - Stars: 7 - Forks: 4

fkaiserbio/mmm

⚒️ Macromolecular Miner - A framework for template-free detection of substructure conservation in biological structure data.

Language: Java - Size: 1.5 MB - Last synced at: about 1 month ago - Pushed at: almost 7 years ago - Stars: 7 - Forks: 1

virtualscreenlab/Sergey-Shityakov

Virtual laboratory for rational drug design and discovery at the blood-brain barrier supervised by Prof. Dr. Sergey Shityakov from Wuerzburg University, Germany

Language: Python - Size: 1.17 MB - Last synced at: 2 days ago - Pushed at: 2 days ago - Stars: 6 - Forks: 8

scipion-chem/scipion-chem

Base Scipion plugin defining objects and protocols for CHEMoinformatics

Language: Python - Size: 1.95 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 6 - Forks: 1

BioSystemsUM/BioCatalyzer

BioCatalyzer: a rule-based tool to predict compound metabolism

Language: Python - Size: 58.4 MB - Last synced at: 29 days ago - Pushed at: 3 months ago - Stars: 6 - Forks: 0

rivas-lab/Smiles2Dock

Smiles2Dock: an open large-scale multi-task dataset for ML-based molecular docking

Language: Python - Size: 218 MB - Last synced at: 5 months ago - Pushed at: 11 months ago - Stars: 6 - Forks: 0

zmactep/smiles

Full support of OpenSMILES specification for Haskell

Language: Haskell - Size: 50.8 KB - Last synced at: 5 days ago - Pushed at: over 1 year ago - Stars: 6 - Forks: 6

Crispae/ChemAnalyzer

Analyze molecule from your browser extension

Language: JavaScript - Size: 6.34 MB - Last synced at: almost 2 years ago - Pushed at: over 3 years ago - Stars: 6 - Forks: 0

yamasakih/docker-compose-django-rdkit

docker-compose + Django + RDKit database cartridge + PostgreSQL

Language: Python - Size: 36.1 KB - Last synced at: about 2 years ago - Pushed at: about 6 years ago - Stars: 6 - Forks: 3

jcorreia11/SMILESAugmentation

SMILES, SELFIES and Reaction SMILES augmentation using RDKit

Language: Python - Size: 50.8 KB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 5 - Forks: 1

akuroiwa/chem-ant

Select materials to output molecules similar to the target molecule with MCTS Solver and Genetic Programming.

Language: Python - Size: 120 KB - Last synced at: about 1 month ago - Pushed at: 7 months ago - Stars: 5 - Forks: 1

tilde-lab/optimade-client

Isomorphic TypeScript / JavaScript client to aggregate all the official Optimade providers

Language: TypeScript - Size: 521 KB - Last synced at: 19 days ago - Pushed at: almost 2 years ago - Stars: 5 - Forks: 1

Bayer-Group/xBCF

Predicting BCF values with explanations

Language: Python - Size: 1.69 MB - Last synced at: about 1 month ago - Pushed at: over 2 years ago - Stars: 5 - Forks: 0

UnixJunkie/rankers

Reference implementation of the Vanishing Ranking Kernels (VRK) method

Language: OCaml - Size: 361 KB - Last synced at: about 1 month ago - Pushed at: over 2 years ago - Stars: 5 - Forks: 0

stefan-schroedl/molecule_classification

"Auto-sklearn for chemistry" - train and run machine-learned classifiers for molecular classification tasks.

Language: Python - Size: 188 KB - Last synced at: about 1 month ago - Pushed at: over 6 years ago - Stars: 5 - Forks: 0

lszeremeta/molstruct

Convert chemical molecule data CSV files to structured data formats

Language: Python - Size: 569 KB - Last synced at: about 1 month ago - Pushed at: 11 months ago - Stars: 4 - Forks: 1

francescopatane96/Computer_aided_drug_discovery_kit

This pipeline provides a way to perform pharmaceutical compounds virtual screening using similarity-based analysis, ligand-based and structure-based techniques. The pipeline contains a collections of modules to perform a variety of analysis.

Language: Jupyter Notebook - Size: 4.43 MB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 4 - Forks: 2

mldlproject/2020-DILI-CNN-MFE

Source code and data of the paper entitled "Predicting Drug-Induced Liver Injury Using Convolutional Neural Network and Molecular Fingerprint-Embedded Features"

Language: Python - Size: 3.08 MB - Last synced at: almost 2 years ago - Pushed at: over 2 years ago - Stars: 4 - Forks: 3

ashwanirathee/ChemDesk

NewYear New Hack 2021:Organic Chemistry ChemoInformatics Website made with kekule,molvecPubChemPy

Language: JavaScript - Size: 11 MB - Last synced at: 2 days ago - Pushed at: over 2 years ago - Stars: 4 - Forks: 3

BioSystemsUM/DeepSweet

A Machine and Deep Learning pipeline to classify sweetness

Language: Jupyter Notebook - Size: 323 MB - Last synced at: about 2 years ago - Pushed at: almost 3 years ago - Stars: 4 - Forks: 0

TinacciL/Connectivity_chemical_graph

Python script that permits to encode molecules as molecular graph and compare easily the connectivity of two molecules

Language: Python - Size: 39.1 KB - Last synced at: 3 months ago - Pushed at: over 3 years ago - Stars: 4 - Forks: 0

MoseleyBioinformaticsLab/isoenum

Isotopic (iso) enumerator (enum) - enumerates isotopically resolved InChI (International Chemical Identifier) for metabolites.

Language: Python - Size: 183 KB - Last synced at: 9 months ago - Pushed at: almost 6 years ago - Stars: 4 - Forks: 0

metgem/libmetgem

A library for molecular networking based on MS/MS spectra.

Language: C - Size: 6.51 MB - Last synced at: about 1 month ago - Pushed at: 9 months ago - Stars: 3 - Forks: 3

LifeArc/py_perceptabat_cv

Python wrapper and API for ACD perceptabat_cv with parallel processing support

Language: Python - Size: 56.6 KB - Last synced at: about 1 month ago - Pushed at: almost 4 years ago - Stars: 3 - Forks: 0

funatsu-lab/Stochastic-Threshold-Model-Trees

A tree-based ensemble method for dealing with extrapolation.

Language: Jupyter Notebook - Size: 2.79 MB - Last synced at: about 2 years ago - Pushed at: over 4 years ago - Stars: 3 - Forks: 7

beyondpie/GIFT

An algorithm called GIFT to infer the chemogenomic information based on drug-protein interactions

Language: C++ - Size: 14.1 MB - Last synced at: 7 months ago - Pushed at: about 5 years ago - Stars: 3 - Forks: 2

the-metabolic-disassembler/metadisassembler

Language: Jupyter Notebook - Size: 3.08 MB - Last synced at: about 1 month ago - Pushed at: over 5 years ago - Stars: 3 - Forks: 1

UnixJunkie/deepchem-playground

some scripts using deepchem

Language: Python - Size: 94.7 KB - Last synced at: about 1 month ago - Pushed at: over 5 years ago - Stars: 3 - Forks: 2

ethanbass/VPdtw

Variable Penalty Dynamic Time Warping

Language: R - Size: 497 KB - Last synced at: 2 days ago - Pushed at: about 2 months ago - Stars: 2 - Forks: 1

miladrayka/addzyme 📦

Additive Effects on Enzyme Activity Predictor

Language: Jupyter Notebook - Size: 28.9 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 2 - Forks: 0