bbyun28

arriba

Fast and accurate gene fusion detection from RNA-Seq data

asc_seurat

awesome-notebooks

Ready to use data science templates, organized by tools to jumpstart your projects in minutes. 😎 published by the Naas community.

bondnet

A graph neural network for the prediction of bond dissociation energies for molecules of any charge.

cellar

Interactive software tool for the assignment of cell types in single-cell studies.

Cloud-Bind

Cloud-based Drug Binding Structure Prediction

degust

An interactive web-tool for RNA-seq analysis

drug-sniffer

Sniffing out new drugs

equidock_public

EquiDock: geometric deep learning for fast rigid 3D protein-protein docking

gr-predictor

JANUS

Code for the paper "JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design"

KLD2

MACA

MACA: Marker-based automatic cell-type annotation for single cell expression data

MolCLR

Implementation of "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyTorch Geometric

MolGpKa

The graph-convolutional neural network for pka prediction

MTL_DNN_Ames

Official repository for "Multi-Task Deep Neural Networks for Ames Mutagenicity Prediction", authored by María Jimena Martínez and coworkers.

olorenchemengine

OCE is the first infinitely composable library for reproducibly implementing SOTA molecular property prediction/QSAR techniques.

polyply_1.0

Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates

practical_cheminformatics_tutorials

Practical Cheminformatics Tutorials

Retraining_Notebook

Using Jupyter Notebooks for Re-training Machine Learning Models

RJT-RL

RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning

RNA-seq-CB321qc

Teaching RNA-seq experimental design and analysis + data storage and sharing for genomics data

rnafusion

RNA-seq analysis pipeline for detection gene-fusions

sarek

Analysis pipeline to detect germline or somatic variants (pre-processing, variant calling and annotation) from WGS / targeted sequencing

SECSE

Systemic Evolutionary Chemical Space Exploration for Drug Discovery

SwinOCSR

terra-docker

torsional-diffusion

Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)

vcf2maf

Convert a VCF into a MAF, where each variant is annotated to only one of all possible gene isoforms

VSFlow