A curated list of resources for machine learning for small-molecule drug discove

165cc0-1.0

6 months ago

awesomeawesome-listbioinformatics

Test Ansible roles using Molecule

55apache-2.0

4 months ago

Molecule translates custom Scala code to database queries for multiple databases

Scala5apache-2.0

8 months ago

databasedatomic-databaseh2-database

Simple RDKit molecule editor GUI using PySide

Python72lgpl-3.0

3 months ago

De novo assembler for single molecule sequencing reads using repeat graphs

C709other

3 months ago

Graph-based molecule modeling toolkit for cheminformatics

Julia183mit

3 months ago

cheminformaticschemistrygraph

A single molecule sequence assembler for genomes large and small.

C++619

2 months ago

:rocket: Progressive microservices framework for Node.js

JavaScript6039mit

12 days ago

distributed-systemshacktoberfestmicroservice

Message Passing Neural Networks for Molecule Property Prediction

Python1503other

2 months ago

chemistrydrug-discoverymachine-learning

The Massively Parallel Quantum Chemistry program, MPQC, computes properties of a

C++63

9 months ago

Auto-QChem is an automated workflow for the generation and storage of DFT calcul

Python71gpl-3.0

6 months ago

automationcheminformaticsdft-calculations

ChemMine Tools: open source web framework for small molecule analysis

JavaScript35other

last year

Molecule Validation and Standardization

Python141mit

4 years ago

cheminformaticschemistrypython

React molecule-components based on Material-ui.

TypeScript90mit

last year

material-uireactreact-molecule-components

GumGum Ansible / Molecule wrapper plugin for oh-my-zsh

Shell3

last year

CGRs, molecules and reactions manipulation

Python38lgpl-3.0

2 years ago

Accelerated similarity searching of small molecules (bioconductor package)

R3other

last year

:star: MEVN Full stack JS web app boilerplate with NodeJS, Express, Mongo and Vu

JavaScript2844

3 years ago

boilerplateexpressfullstack

A lightweight collection of Vue components (including molecules and organisms) t

Vue12mit

last year