#
cheminformatics-and-compchem
Here are
11 public repositories
matching this topic...
A collection of molecular optimisers and property calculators for use with stk.
Updated
Nov 15, 2024
Python
This repository contains rantom but useful scripts for all purposes analysis.
Updated
Oct 14, 2024
Python
Wiswesser Line Notation Project
All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
Updated
Sep 30, 2024
Jupyter Notebook
Updated
Sep 24, 2024
Jupyter Notebook
🧪 Cheminformatics software development and molecular modeling.
MASSIVEChem is a pip-installable package centred around mass spectrometry
Updated
Jul 17, 2024
Jupyter Notebook
A one stop destination of open source tools in Computer Aided Drug Design (CADD)
Updated
Mar 2, 2024
JavaScript
A curated list of online chemical engineering education resources
SMILE to Descriptors and Fingerprint Generators
Updated
Sep 4, 2023
Python
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