Topic: "rdkit"
rdkit/rdkit
The official sources for the RDKit library
Language: HTML - Size: 203 MB - Last synced at: 5 days ago - Pushed at: 5 days ago - Stars: 3,055 - Forks: 937
datamol-io/datamol
Molecular Processing Made Easy.
Language: Python - Size: 114 MB - Last synced at: 3 months ago - Pushed at: about 1 year ago - Stars: 501 - Forks: 54
oddt/oddt
Open Drug Discovery Toolkit
Language: Python - Size: 45.8 MB - Last synced at: 20 days ago - Pushed at: over 2 years ago - Stars: 446 - Forks: 122
chemosim-lab/ProLIF
Interaction Fingerprints for protein-ligand complexes and more
Language: Python - Size: 11.6 MB - Last synced at: 3 days ago - Pushed at: 12 days ago - Stars: 441 - Forks: 85
maabuu/posebusters
Plausibility checks for generated molecule poses.
Language: Python - Size: 3.86 MB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 314 - Forks: 18
AngelRuizMoreno/Jupyter_Dock
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
Language: Jupyter Notebook - Size: 30.8 MB - Last synced at: about 2 months ago - Pushed at: almost 2 years ago - Stars: 269 - Forks: 68
wjm41/molplotly
add-on to plotly which show molecule images on mouseover!
Language: Python - Size: 17 MB - Last synced at: 3 days ago - Pushed at: over 1 year ago - Stars: 256 - Forks: 29
Mishima-syk/py4chemoinformatics
Python for chemoinformatics
Language: Jupyter Notebook - Size: 33.8 MB - Last synced at: 5 months ago - Pushed at: about 4 years ago - Stars: 226 - Forks: 91
cbouy/mols2grid
Interactive molecule viewer for 2D structures
Language: Python - Size: 13.5 MB - Last synced at: 3 days ago - Pushed at: 18 days ago - Stars: 223 - Forks: 31
rdkit/rdkit-js
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
Language: Dockerfile - Size: 15.2 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 197 - Forks: 38
RadonPy/RadonPy
RadonPy is a Python library to automate physical property calculations for polymer informatics.
Language: Python - Size: 4.89 MB - Last synced at: about 2 months ago - Pushed at: 7 months ago - Stars: 187 - Forks: 32
UCLCheminformatics/ScaffoldGraph
ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.
Language: Python - Size: 781 KB - Last synced at: 20 days ago - Pushed at: over 3 years ago - Stars: 186 - Forks: 40
mcs07/MolVS
Molecule Validation and Standardization
Language: Python - Size: 266 KB - Last synced at: 4 days ago - Pushed at: over 5 years ago - Stars: 174 - Forks: 56
kuelumbus/rdkit-pypi
⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit
Language: Python - Size: 357 KB - Last synced at: 2 days ago - Pushed at: 3 days ago - Stars: 134 - Forks: 19
GLambard/Molecules_Dataset_Collection
Collection of data sets of molecules for a validation of properties inference
Size: 63.1 MB - Last synced at: 3 months ago - Pushed at: about 7 years ago - Stars: 105 - Forks: 30
Mishima-syk/psikit
psi4+RDKit
Language: Python - Size: 803 KB - Last synced at: 19 days ago - Pushed at: 4 months ago - Stars: 102 - Forks: 22
joofio/py4chemoinformatics Fork of Mishima-syk/py4chemoinformatics
Python for chemoinformatics
Language: Jupyter Notebook - Size: 24.3 MB - Last synced at: over 2 years ago - Pushed at: over 4 years ago - Stars: 88 - Forks: 26
grillazz/fastapi-redis
Showcase of Redis integration with Python FastAPI framework supported by Pydantic as API backend for RDKit: Open-Source Cheminformatics Software
Language: Python - Size: 707 KB - Last synced at: 1 day ago - Pushed at: 21 days ago - Stars: 81 - Forks: 10
rvianello/chemicalite
An SQLite extension for chemoinformatics applications.
Language: C++ - Size: 453 KB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 56 - Forks: 8
Steinbeck-Lab/cheminformatics-microservice
This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.
Language: JavaScript - Size: 21.3 MB - Last synced at: 3 days ago - Pushed at: 22 days ago - Stars: 51 - Forks: 8
dylanwal/chemistry_drawer
Draw molecules with plotly!
Language: Python - Size: 1.61 MB - Last synced at: 4 days ago - Pushed at: 5 months ago - Stars: 49 - Forks: 5
liutairan/eMolFrag
eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
Language: Python - Size: 8.88 MB - Last synced at: 2 months ago - Pushed at: about 5 years ago - Stars: 49 - Forks: 24
kotori-y/Scopy
An integrated negative design python library for desirable HTS/VS database design
Language: Python - Size: 8.77 MB - Last synced at: 18 days ago - Pushed at: over 2 years ago - Stars: 45 - Forks: 13
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
Ramprasad-Group/polygnn
polyGNN is a Python library to automate ML model training for polymer informatics.
Language: Python - Size: 22 MB - Last synced at: about 2 months ago - Pushed at: 7 months ago - Stars: 41 - Forks: 9
lhm30/PIDGINv3
Protein target prediction using random forests and reliability-density neighbourhood analysis
Language: Python - Size: 5.27 MB - Last synced at: 5 months ago - Pushed at: over 5 years ago - Stars: 40 - Forks: 14
ale94mleon/moldrug
moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space
Language: Python - Size: 104 MB - Last synced at: 2 days ago - Pushed at: 30 days ago - Stars: 37 - Forks: 7
InformaticsMatters/pipelines
Containerised components for cheminformatics and computational chemistry
Language: Python - Size: 60.6 MB - Last synced at: 5 months ago - Pushed at: over 2 years ago - Stars: 36 - Forks: 19
InformaticsMatters/docker-rdkit
Lightweight RDKit images for production deployment
Language: Shell - Size: 159 KB - Last synced at: 16 days ago - Pushed at: 3 months ago - Stars: 35 - Forks: 10
apahl/mol_frame
Chemical Structure Handling for Pandas DataFrames
Language: Jupyter Notebook - Size: 8.16 MB - Last synced at: 8 days ago - Pushed at: over 2 years ago - Stars: 33 - Forks: 11
ecrl/graphchem
Graph-based machine learning for chemical property prediction
Language: Python - Size: 2.7 MB - Last synced at: 8 days ago - Pushed at: 7 months ago - Stars: 32 - Forks: 7
YunjaeChoi/vaemols
Variational Autoencoder for Molecules
Language: Jupyter Notebook - Size: 27.2 MB - Last synced at: 5 months ago - Pushed at: over 6 years ago - Stars: 30 - Forks: 11
xiaoruiDong/RDMC
Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.
Language: Jupyter Notebook - Size: 49.4 MB - Last synced at: 8 days ago - Pushed at: 5 months ago - Stars: 28 - Forks: 2
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: about 4 hours ago - Pushed at: 11 months ago - Stars: 28 - Forks: 7
tandemai-inc/rdkit-mcp-server
MCP server that enables language models to interact with RDKit through natural language
Language: Python - Size: 85.9 KB - Last synced at: 17 days ago - Pushed at: 17 days ago - Stars: 25 - Forks: 3
ricardoamferreira/Predicting-Adverse-Drug-Reactions-with-Machine-Learning
The objective of this work is to develop machine learning (ML) methods that can accurately predict adverse drug reactions (ADRs) using the databases SIDER and OFFSIDES.
Language: Jupyter Notebook - Size: 27 MB - Last synced at: 9 months ago - Pushed at: almost 2 years ago - Stars: 23 - Forks: 14
UnixJunkie/smi2sdf3d
3D diverse conformers generation using rdkit
Language: Python - Size: 34.2 KB - Last synced at: 5 months ago - Pushed at: over 3 years ago - Stars: 23 - Forks: 12
suneelbvs/rdkit_tutorials
rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)
Language: Jupyter Notebook - Size: 1.4 MB - Last synced at: almost 2 years ago - Pushed at: over 2 years ago - Stars: 22 - Forks: 5
idslme/IDSL_MINT
A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data
Language: Python - Size: 972 KB - Last synced at: 5 months ago - Pushed at: over 1 year ago - Stars: 20 - Forks: 1
mcs07/docker-rdkit
RDKit Docker images
Language: Dockerfile - Size: 7.81 KB - Last synced at: 2 months ago - Pushed at: about 3 years ago - Stars: 20 - Forks: 11
UnixJunkie/molenc
MolEnc: a molecular encoder using rdkit and OCaml.
Language: OCaml - Size: 9.04 MB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 19 - Forks: 2
rdkit-rs/rdkit-sys
Rust crate for linking against the RDKit C++ API
Size: 76.2 KB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 19 - Forks: 6
greglandrum/rdkit-blog-fastpages
Language: Jupyter Notebook - Size: 31.5 MB - Last synced at: 5 months ago - Pushed at: over 2 years ago - Stars: 19 - Forks: 7
ritabratamaiti/Chem-Faiss
This projects utilises vector similarity search from Faiss, in conjunction with chemical fingerprinting to build a scalabale similarity search architecture for compounds/molecules.
Language: Jupyter Notebook - Size: 3.21 MB - Last synced at: 7 days ago - Pushed at: over 4 years ago - Stars: 19 - Forks: 3
kotori-y/pySmash
Smash molecule and obtain significant fragments
Language: Jupyter Notebook - Size: 12.5 MB - Last synced at: 11 days ago - Pushed at: about 4 years ago - Stars: 18 - Forks: 3
mcs07/docker-postgres-rdkit
PostgreSQL Docker image with RDKit cartridge
Language: Dockerfile - Size: 5.86 KB - Last synced at: 5 months ago - Pushed at: over 5 years ago - Stars: 18 - Forks: 19
andrewtarzia/mol-ellipsize
Molecular size calculation based on ellipsoid fitting over N conformers
Language: TeX - Size: 8.19 MB - Last synced at: 2 days ago - Pushed at: over 3 years ago - Stars: 16 - Forks: 0
zincware/rdkit2ase
Create atomistic structures with ASE, rdkit and packmol
Language: Python - Size: 1.23 MB - Last synced at: 13 days ago - Pushed at: 13 days ago - Stars: 15 - Forks: 1
rinikerlab/PyGromosTools
This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and analyze simulations in python.
Language: Python - Size: 218 MB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 15 - Forks: 13
icanswim/qchem
An exploration of the state of the art in the application of data science to quantum chemistry.
Language: Jupyter Notebook - Size: 6.06 MB - Last synced at: 18 days ago - Pushed at: 18 days ago - Stars: 13 - Forks: 5
jeffrichardchemistry/molbokeh
A new python package to visualize molecules in dots hover
Language: Jupyter Notebook - Size: 979 KB - Last synced at: 2 months ago - Pushed at: over 1 year ago - Stars: 13 - Forks: 1
rvianello/docker-postgres-rdkit
The PostgreSQL image, just extended with the RDKit cartridge
Language: Dockerfile - Size: 16.6 KB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 12 - Forks: 6
Membrizard/ml_conformer_generator
Shape-constrained molecule generation via Equivariant Diffusion and GCN
Language: Python - Size: 34.7 MB - Last synced at: 18 days ago - Pushed at: 18 days ago - Stars: 11 - Forks: 1
tagirshin/altmol
Plugin to show molecule images on mouseover using RDKit and Altair
Language: Jupyter Notebook - Size: 4.49 MB - Last synced at: 20 days ago - Pushed at: over 1 year ago - Stars: 11 - Forks: 2
gulabpatel/Graph_Neural_Network
Language: Jupyter Notebook - Size: 14.4 MB - Last synced at: about 1 month ago - Pushed at: over 1 year ago - Stars: 11 - Forks: 0
jeffrichardchemistry/pySiRC
Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.
Language: Python - Size: 233 MB - Last synced at: about 2 years ago - Pushed at: almost 4 years ago - Stars: 11 - Forks: 4
cbouy/bokehmol
Bokeh extensions to plot molecules easily
Language: HTML - Size: 236 KB - Last synced at: 21 days ago - Pushed at: about 2 months ago - Stars: 10 - Forks: 2
AI4PFAS/AI4PFAS
Dataset and code for "Uncertainty-Informed Deep Transfer Learning of PFAS Toxicity"
Language: Jupyter Notebook - Size: 1.24 GB - Last synced at: over 2 years ago - Pushed at: over 2 years ago - Stars: 10 - Forks: 0
c-feldmann/lassohighlight
Tool to add substructure highlighting to molecules drawn with RDKit
Language: Python - Size: 706 KB - Last synced at: almost 2 years ago - Pushed at: over 3 years ago - Stars: 10 - Forks: 1
MichelML/chempp
[paused development] Large scale concurrent chemical search using RDKit cartridge, Oat++ and native Postgres & C++ features.
Language: C++ - Size: 99.6 KB - Last synced at: 4 months ago - Pushed at: about 3 years ago - Stars: 9 - Forks: 1
cbouy/molhighlighter
Multicolored substructure highlights made easy
Language: Jupyter Notebook - Size: 187 KB - Last synced at: 5 months ago - Pushed at: over 3 years ago - Stars: 9 - Forks: 2
UnixJunkie/mol2ecfp4
convert molecules to their ECFP4 fingerprint using rdkit
Language: Python - Size: 1.95 KB - Last synced at: 3 months ago - Pushed at: over 8 years ago - Stars: 9 - Forks: 3
greglandrum/rdkit-blog
RDKit blog
Language: Jupyter Notebook - Size: 105 MB - Last synced at: about 10 hours ago - Pushed at: about 12 hours ago - Stars: 8 - Forks: 2
iktos/molecule-representation
Interactif molecule representations / drawing as react components
Language: TypeScript - Size: 3.78 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 8 - Forks: 1
chemkg/c3p
LLM-generated CHEBI classifiers
Language: Python - Size: 119 MB - Last synced at: 9 days ago - Pushed at: 15 days ago - Stars: 8 - Forks: 2
ciw-project-2023/coaler
CoAler = Core Aligner (Multi-Alignment of Molecules)
Language: C++ - Size: 23.2 MB - Last synced at: 5 months ago - Pushed at: over 1 year ago - Stars: 8 - Forks: 1
caiyingchun/pychem
Various python script about cheminformatics.
Language: Jupyter Notebook - Size: 50.2 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 8 - Forks: 1
silicos-it/qed
The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit
Language: Python - Size: 135 KB - Last synced at: over 2 years ago - Pushed at: over 2 years ago - Stars: 8 - Forks: 6
c-feldmann/rdkit_heatmaps
A package to draw custom heatmaps on molecular depictions of RDKit
Language: Python - Size: 3.7 MB - Last synced at: about 2 years ago - Pushed at: over 3 years ago - Stars: 8 - Forks: 0
k-ujihara/build-rdkit
RDKit .NET wrapper for Windows/Linux.
Language: Python - Size: 280 KB - Last synced at: 19 days ago - Pushed at: over 3 years ago - Stars: 8 - Forks: 7
InformaticsMatters/squonk
Squonk platform and computational notebook
Language: Java - Size: 123 MB - Last synced at: 5 months ago - Pushed at: over 4 years ago - Stars: 8 - Forks: 3
yamasakih/docker-compose-razi
docker-compose + JupyterNotebook + RDKit database cartridge + PostgreSQL
Language: Jupyter Notebook - Size: 537 KB - Last synced at: over 2 years ago - Pushed at: almost 7 years ago - Stars: 8 - Forks: 6
UAMCAntwerpen/2040FBDBIC
This repository contains all the course materials that are used in the "Chemo-informatics and computational drug design" course teaches at the University of Antwerp (Belgium)
Language: Jupyter Notebook - Size: 362 MB - Last synced at: 10 months ago - Pushed at: 10 months ago - Stars: 7 - Forks: 3
DrReetuSharma/Drug-Target-Discovery-Using-LLMs-and-Knowledge-Graphs
Drug target discovery using LLM and Knowledge graphs
Language: Python - Size: 126 KB - Last synced at: 5 months ago - Pushed at: 12 months ago - Stars: 7 - Forks: 1
adelenelai/onglai-classify-homologues
OngLai: A cheminformatics algorithm to classify homologous chemical series
Language: Python - Size: 72.5 MB - Last synced at: 4 days ago - Pushed at: about 1 year ago - Stars: 7 - Forks: 5
UnixJunkie/chemoinfo_recipes
Command line recipes for the working chemoinformatician
Size: 33.2 KB - Last synced at: 6 months ago - Pushed at: over 3 years ago - Stars: 7 - Forks: 0
zilliz-bootcamp/chemical_similarity_search
Converting chemical formulae to fingerprints and then compared for similarity in Milvus.
Language: TypeScript - Size: 1.05 MB - Last synced at: 3 months ago - Pushed at: about 4 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: 2 months ago - Pushed at: about 4 years ago - Stars: 7 - Forks: 4
mcsorkun/Conformer-Search
A simple workflow for minimum energy conformer search based on force field optimization methods (UFF and MMFF94) available from RDKit.
Language: Python - Size: 195 KB - Last synced at: almost 2 years ago - Pushed at: over 5 years ago - Stars: 7 - Forks: 4
ChemAILtd/rdfreader
Read the full contents of CTAB .rdf files in python. Captures RXN and MOL record using RDKit and reads additional data fields (including solvents/catalysts/agents).
Language: Python - Size: 417 KB - Last synced at: 1 day ago - Pushed at: 1 day ago - Stars: 6 - Forks: 4
iktos/rdkit-provider
instantiate an RDKit web worker in a React context
Language: TypeScript - Size: 920 KB - Last synced at: 26 days ago - Pushed at: 6 months ago - Stars: 6 - Forks: 0
TanushGoel/PharmaceuticAI
An iterative process that uses two machine learning models to generate the best inhibitors for a target protein to help reduce the time and cost of the drug discovery process
Language: Jupyter Notebook - Size: 8.94 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 6 - Forks: 2
wesleybeckner/gains
project that enables molecular design and computational screening of small molecules
Language: Python - Size: 68.8 MB - Last synced at: 4 months ago - Pushed at: over 2 years ago - Stars: 6 - Forks: 2
apahl/rdkit_nim
Nim bindings for the C++ cheminformatics toolkit RDKit.
Language: Nim - Size: 85 KB - Last synced at: 8 days ago - Pushed at: almost 3 years ago - Stars: 6 - Forks: 0
ThomasJewson/Molecular3DLengthDescriptors
A 3D conformational based molecular descriptor set for use in QSPR and Machine Learning.
Language: Python - Size: 136 KB - Last synced at: 10 months ago - Pushed at: over 4 years ago - Stars: 6 - Forks: 0
Gillingham-Lab/DECL-Gen
DECL-Gen is a toolkit for DNA encoded library to provide the ability to create combinatorial libraries *in situ* and to easily evaluate next generation sequencing results comming from library enrichments.
Language: Python - Size: 207 KB - Last synced at: over 2 years ago - Pushed at: over 4 years ago - Stars: 6 - Forks: 3
yamasakih/docker-compose-django-rdkit
docker-compose + Django + RDKit database cartridge + PostgreSQL
Language: Python - Size: 36.1 KB - Last synced at: over 2 years ago - Pushed at: over 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: 9 months ago - Pushed at: 9 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: 17 days ago - Pushed at: 10 months ago - Stars: 5 - Forks: 1
ThomasGust/Molecumixer
Very incomplete right now, pretrained ARGVAET system for generating, classifying, and predicting the properties of molecules. I couldn't upload the dataset or checkpoints due to size constraints.
Language: Python - Size: 13.6 MB - Last synced at: 5 months ago - Pushed at: over 1 year ago - Stars: 5 - Forks: 1
farhad-abdi/InSilicoQ
Quantum Computing and Machine Learning for Drug Design and Proteins Engineering
Language: Python - Size: 487 KB - Last synced at: over 2 years ago - Pushed at: over 2 years ago - Stars: 5 - Forks: 1
suneelbvs/Streamlit-app
Streamlit multipage app on rdKit Cheatsheet
Language: Python - Size: 8.79 KB - Last synced at: over 2 years ago - Pushed at: about 3 years ago - Stars: 5 - Forks: 0
Henrique-rt/QSAR_applicability_domain_convex_hull
Allows to visualize and analyze if the molecules of the test set and of an external set are contained in the convex hull defined by the molecules of the training set.
Language: Python - Size: 56.6 KB - Last synced at: over 2 years ago - Pushed at: over 3 years ago - Stars: 5 - Forks: 2
shenwanxiang/rdkit_summary Fork of dreadlesss/rdkit_summary
rdkit总结与实践
Size: 1.85 MB - Last synced at: over 2 years ago - Pushed at: about 5 years ago - Stars: 5 - Forks: 6
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: 5 months ago - Pushed at: almost 7 years ago - Stars: 5 - Forks: 0
vandan-revanur/pychemprojections
Visualize various molecule projections using Python 🎨
Language: Python - Size: 85.7 MB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 4 - Forks: 1
andgineer/spark-aws-rdkit
Docker-based PySpark cluster with Hadoop 3, AWS services support (S3), and RDKit cheminformatics suite in Anaconda environment - ready for both local and AWS ECS deployment.
Language: Shell - Size: 49.8 KB - Last synced at: 12 days ago - Pushed at: 12 days ago - Stars: 4 - Forks: 0
kareemjeiroudi/molecules_and_ml
An online repository to access my bachelor project files wherever I go. However, this might be of interest to some bioinformaticians. For full description please refer to the README file.
Language: Jupyter Notebook - Size: 490 MB - Last synced at: almost 2 years ago - Pushed at: over 5 years ago - Stars: 4 - Forks: 1
Ramprasad-Group/polyverse-structures
A python library to generate realistic, hypothetical polymers from known chemistry
Language: Python - Size: 8.76 MB - Last synced at: 5 months ago - Pushed at: 8 months ago - Stars: 3 - Forks: 2
suneelbvs/ChemAxon_UGM2022
Do you want integrate Chemaxon knime nodes in Jupyter Notebook. This repo contains the knime workflows, and jupyter notebooks that used for demonstration during #ChemAxon #UGM2022
Language: Jupyter Notebook - Size: 69.3 KB - Last synced at: over 2 years ago - Pushed at: almost 3 years ago - Stars: 3 - Forks: 0