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

199cc0-1.0

12 months ago

awesomeawesome-listbioinformatics

Test Ansible roles using Molecule

56apache-2.0

10 months ago

Molecule translates custom Scala code to database queries for multiple databases

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4 months ago

databasedatomic-databaseh2-database

Simple RDKit molecule editor GUI using PySide

Python119lgpl-3.0

4 months ago

ChemMine Tools: open source web framework for small molecule analysis

JavaScript35other

2 years ago

De novo assembler for single molecule sequencing reads using repeat graphs

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Graph-based molecule modeling toolkit for cheminformatics

Julia193mit

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A single molecule sequence assembler for genomes large and small.

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Molecule Validation and Standardization

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:rocket: Progressive microservices framework for Node.js

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React molecule-components based on Material-ui.

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Message Passing Neural Networks for Molecule Property Prediction

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

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CGRs, molecules and reactions manipulation

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Accelerated similarity searching of small molecules (bioconductor package)

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

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

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

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

Python88gpl-3.0

30 days ago

automationcheminformaticsdft-calculations

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

199cc0-1.0

12 months ago

awesomeawesome-listbioinformatics

Test Ansible roles using Molecule

56apache-2.0

10 months ago

Molecule translates custom Scala code to database queries for multiple databases

Scala17apache-2.0

4 months ago

databasedatomic-databaseh2-database

Simple RDKit molecule editor GUI using PySide

Python119lgpl-3.0

4 months ago

ChemMine Tools: open source web framework for small molecule analysis

JavaScript35other

2 years ago

De novo assembler for single molecule sequencing reads using repeat graphs

C789other

3 months ago

Graph-based molecule modeling toolkit for cheminformatics

Julia193mit

4 months ago

cheminformaticschemistrygraph

A single molecule sequence assembler for genomes large and small.

C++660

2 days ago

Molecule Validation and Standardization

Python151mit

5 years ago

cheminformaticschemistrypython

:rocket: Progressive microservices framework for Node.js

JavaScript6170mit

6 days ago

distributed-systemsmicroservicemicroservice-framework

React molecule-components based on Material-ui.

TypeScript88mit

2 years ago

material-uireactreact-molecule-components

Message Passing Neural Networks for Molecule Property Prediction

Python1646other

4 months ago

chemistrydrug-discoverymachine-learning

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

Shell3

2 years ago

CGRs, molecules and reactions manipulation

Python42lgpl-3.0

2 years ago

Accelerated similarity searching of small molecules (bioconductor package)

R3other

2 years ago

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

JavaScript2848

3 years ago

boilerplateexpressfullstack

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

Vue12mit

2 years ago

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

C++66

last year

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

Python88gpl-3.0

30 days ago

automationcheminformaticsdft-calculations