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autochem

Automation of computational chemistry tasks using GAMESS, Orca, PSI4 and Gaussian. Gamess tasks emphasise the use of FMO calculations.

autodock-gpu

AutoDock for GPUs and other accelerators

automated-qsar-framework

Automated framework for the curation of chemogenomics data and to develop QSAR models for virtual screening using the open-source KNIME software

autoviz

Automatically Visualize any dataset, any size with a single line of code. Created by Ram Seshadri. Collaborators Welcome. Permission Granted upon Request.

awesome-bioinformatics

A curated list of awesome Bioinformatics libraries and software.

awesome-cheminformatics

A curated list of awesome Cheminformatics libraries and software.

awesome-cryoem

A collaborative list of awesome CryoEM (Cryo Electron Microscopy) resources.

awesome-deep-learning

A curated list of awesome Deep Learning tutorials, projects and communities.

awesome-notebooks

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

awesome-python

A curated list of awesome Python frameworks, libraries, software and resources

awesome-python-chemistry

A curated list of Python packages related to chemistry

awesome-single-cell

List of software packages for single-cell data analysis, including RNA-seq, ATAC-seq, etc.

awesome-streamlit

The purpose of this project is to share knowledge on how awesome Streamlit is and can be

awesome_ai_aided_drug_design_papers

https://chenxingqiang.github.io/Awesome_AI_Aided_Drug_Design_Papers/

awesome_bigdata_ai_drugdiscovery

A collection of resources useful for leveraging big data and AI for drug discovery. It mainly serves as an orientation for new lab folks. It may be biased towards my lab interest.

ballgown

Bioconductor package "ballgown", devel version. Isoform-level differential expression analysis in R.

bam.iobio.io

http://bam.iobio.io

bbb-models

bbb_uncertainty_project

Blood–Brain Barrier Penetration Prediction Enhanced by Uncertainty Estimation

bcbio-nextgen

Validated, scalable, community developed variant calling, RNA-seq and small RNA analysis

beginners-pytorch-deep-learning

Repository for scripts and notebooks from the book: Beginner’s Guide to Using PyTorchfor Deep Learning

benchmarks

ECP-CANDLE Benchmarks

biaae

Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders

bimodal

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

bioactivity-prediction-app

biobert

BioBERT: a pre-trained biomedical language representation model

bioconceptvec

bioinf-python

Python for Bioinformatics

bioinfokit

Bioinformatics data analysis and visualization toolkit

bioinformatics-with-python-cookbook-second-edition

Bioinformatics with Python Cookbook Second Edition, published by Packt