Results for "cheminform"

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PatWalters / Practical Cheminformatics Tutorials

1.2k

Practical Cheminformatics Tutorials

universal

Updated 1d ago

hsiaoyi0504 / Awesome Cheminformatics

853

A curated list of Cheminformatics libraries and software.

universal

awesomeawesome-listbioinformatics+2

Updated 7h ago

MorganCThomas / MolScore

231

An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design

universal

benchmarkcheminformde-novo-drug-design+4

Updated 4h ago

Sulstice / Cheminformatics Teaching Material

177

Resources, Code, and Other things I use to teach Cheminformatics.

universal

Updated 20d ago

NVIDIA / Cheminformatics

173

Facilitates searching, screening, and organizing large chemical databases

universal

Updated 20d ago

PatWalters / Practical Cheminformatics Posts

Practical Cheminformatics Blog Posts

universal

Updated 15d ago

Steinbeck-Lab / Cheminformatics Microservice

This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.

universal

cheminformaticschemistrychemistry-development-kit+5

Updated 11h ago

zinph / Cheminformatics

All the handy little scripts for cheminformatics related projects

universal

Updated 1mo ago

HzaCode / ChemInformant

⚗️ An all-in-one solution for chemical property retrieval from PubChem.

universal

api-clientbatch-processingcaching+17

Updated 3mo ago

mcs07 / Homebrew Cheminformatics

Cheminformatics formulae for the Homebrew package manager

universal

cheminformaticsformulaehomebrew+3

Updated 7mo ago

meister-paul-j / Basic Cheminformatics Pipeline

Going through a setting up a basic cheminformatics pipeline for the target EGFR

universal

Updated 9mo ago

PatWalters / Learning Cheminformatics

Resources for Learning Cheminformatics with the RDKit

universal

Updated 1mo ago

Sulstice / Uptime Cheminformatics

📈 Uptime monitor and status page for Suliman Sharif, powered by @upptime

universal

cheminformaticsstatus-pageupptime+1

Updated 3m ago

PatWalters / Cheminformaticsbook

These files are meant to accompany "What are our models really telling us? A practical tutorial on avoiding common mistakes when building predictive models"

universal

Updated 1mo ago

MolSSI-Education / Molssi Cheminformatics

No description available

universal

Updated 7mo ago

MunibaFaiza / Cheminformatics

Perform operations on chemical structures using Python.

universal

Updated 20d ago

PatWalters / Rapids Cheminformatics

Some demos using Nvidia RAPIDS for Cheminformatics

universal

Updated 3y ago

bioclipse / Bioclipse.cheminformatics

Bioclipse Cheminformatics Feature

universal

bioclipsecdkchemistry+8

Updated 2y ago

XinhaoLi74 / Cheminformatics Notebooks

No description available

universal

Updated 1y ago

MorganCThomas / Cheminformantics

Data and code related to the cheminformantics blog https://cheminformantics.blogspot.com/

universal

Updated 1mo ago