89 Open source projects that are alternatives of or similar to galaxytools

Robust, flexible and resource-efficient pipelines using Go and the commandline

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

A deep learning framework for molecular docking

Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.

An integrated negative design python library for desirable HTS/VS database design

A curated list of Cheminformatics libraries and software.

Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)

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SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)

Universal cheminformatics libraries, utilities and database search tools

Library for reading and writing chemistry files

A Chemical Knowledge Graph of What is Common in the World.

RNArtist allows you to design and paint your RNA 2D structures interactively. Coupled with the 3D viewer UCSF Chimera, use your 2D as a map to explore RNA 3D architectures.

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Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

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Python package for graph neural networks in chemistry and biology

Version 2020 (3.1) of Chem4Word - A Chemistry Add-In for Microsoft Word

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A graph-based deep learning framework for life science

programs and scripts, mainly python, for analyses related to nucleic or protein sequences

A lightweight python-only library for reading and writing SMILES strings

Python for chemoinformatics

A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.

Ideas for chemical similarity searches in MongoDB.

UNDER DEVELOPMENT--- Analysis of long non-coding RNAs from RNA-seq datasets

Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda et al.

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waka waka

Python wrapper for the NCI Chemical Identifier Resolver (CIR)

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Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

Deep Reinforcement Learning for de-novo Drug Design

The Chemistry Development Kit

Visual Studio Code extension providing language support for StarCraft 2 Galaxy Script

chemical graph theory library for JavaScript

Open Drug Discovery Toolkit

Molecular informatics toolkit with a comprehensive integration of bioinformatics and cheminformatics tools for drug discovery.

Ansible roles for AOS-CX switches

The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.

Python wrapper for the PubChem PUG REST API.

A library to interface molecules and machine learning.

Molecular dynamics simulation software

Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G protein-coupled receptors (GPCRs).

A Javascript cheminformatics toolkit.

The official PyTorch implementation of "Pathfinder Discovery Networks for Neural Message Passing" (WebConf '21)

organic chemistry reaction prediction using NMT with Attention

Graph-based molecule modeling toolkit for cheminformatics

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Web Interface for ChEMBL @ EMBL-EBI

An easy-to-use way for running Galaxy workflows.

Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures

Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules

Ansible role to provision containers in Proxmox VE virtualization

Generate random pixel art galaxies! In honor of Hubble Space Telescope, SNES videogames and Bob Ross

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