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abstract_extractor

autowrap

Generates Python Extension modules from Cythons PXD files

azimuth

Machine Learning-Based Predictive Modelling of CRISPR/Cas9 guide efficiency

bacteria-growth-simulation

bimodal

Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).

chem-sampler

Sample small molecules, both from large chemical libraries and generated

coprinet

Deep learning for compound price prediction

deep-learning-cs230

dl4chem-mgm

drugcell

A visible neural network model for drug response prediction

electron-photon-classification

elevation

End-to-end guide design for CRISPR/Cas9 with machine learning

eos7a45

eos9f6t

Predicts the inhibitory activity of small molecules on SARS-Cov1 3CLprotease

ersilia

The Ersilia Model Hub, a platform featuring models for infectious and neglected disease research.

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)

feedfilter

gencode_regions

Extract 3'UTR, 5'UTR, CDS, Promoter, Genes, Introns, Exons from GTF files

genestorian_data_refinement

A project to extract genotype information from lab spreadsheets.

github-pull-request-guide

graph-coarsening

Multilevel graph coarsening algorithm with spectral and cut guarantees

handwritting-recognition

hgraph2graph

Hierarchical Generation of Molecular Graphs using Structural Motifs

hybridclms

Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»

mdf

This repository contains the source for the MDF specification and Python API

module-1

moflow

MoFlow: an invertible flow model for generating molecular graphs

moja-global_task

molecule-generation

Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation

my_repo