A curated list of online chemical engineering education resources
All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
A collection of molecular optimisers and property calculators for use with stk.
MASSIVEChem is a pip-installable package centred around mass spectrometry
SMILE to Descriptors and Fingerprint Generators
Wiswesser Line Notation Project
A one stop destination of open source tools in Computer Aided Drug Design (CADD)
This repository contains rantom but useful scripts for all purposes analysis.
🧪 Cheminformatics software development and molecular modeling.
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