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awesome-random-forest

Random Forest - a curated list of resources regarding random forest

bioconda-recipes

Conda recipes for the bioconda channel.

cinfony

Simplified and standard interface to Open Babel, RDKit and the CDK

conda-openbabel

Conda build recipe for Open Babel

deepchem

Deep-learning models for Drug Discovery and Quantum Chemistry

discus

DiSCuS - Database System for Compound Selection

discus-deploy

DiSCuS deployment scripts and required code

distributed

Distributed computation in Python

docker-images

Repository of Docker images created by Continuum Analytics

docker-images-1

Repository to host the Docker images files used in conda-forge

fastjtnnpy3

AI for discovering 100% valid drug like molecules, a combination of VAE-JTNN and bayesian optimization, an optimized Python 3 Version of Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)

fpsim2

Simple package for fast molecular similarity searches

ipymol

Control PyMol sessions via iPython

ipython-cluster-helper

Tool to easily start up an IPython cluster on different schedulers.

mod

mychembl

Resources used to create the myChEMBL virtual machine

oddt

Open Drug Discovery Toolkit

openbabel

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

openbabel-packages

Files necessary to create OpenBabel's binary packages (deb and rpm)

opendrugdiscovery

Open Drug Discovery Toolkit

razi

A cheminformatic extension for the SQLAlchemy database toolkit.

rdalchemy

RDKit integration to SQLAlchemy

rdkit

The official sources for the RDKit library

rdkit-docker

scikit-learn

scikit-learn: machine learning in Python

sklearn-compiledtrees

Compiled Decision Trees for scikit-learn

slurm

Slurm: A Highly Scalable Workload Manager

smina

superdude

udev-joystick-blacklist

Fix for keyboard/mouse/tablet being detected as joystick in Linux