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3d-geometric-deep-learning-in-drugs

3D-geometric-deep-learning-in-drugs

af2rank

ahoj-project

:wave: Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa.

arxiv-sanity-lite

arxiv-sanity lite: tag arxiv papers of interest get recommendations of similar papers in a nice UI using SVMs over tfidf feature vectors based on paper abstracts.

arxiv-sanity-preserver

Web interface for browsing, search and filtering recent arxiv submissions

asyncer

Asyncer, async and await, focused on developer experience.

atlassian-python-api

Atlassian Python REST API wrapper

autoweka

Auto-WEKA

awesome-bioinformatics

A curated list of awesome Bioinformatics libraries and software.

bayesianoptimization

A Python implementation of global optimization with gaussian processes.

biojava

FORK! :book::microscope::coffee: BioJava is an open-source project dedicated to providing a Java library for processing biological data.

biozernike

Protein structure descriptors and alignment based on 3D Zernike moments.

biskit

A Python platform for Structural Bioinformatics

biskitbase

Docker container with all biskit library requirements as well as third-party programs wrapped by biskit

bitenet

Spatiotemporal identification of druggable binding sites using deep learning

calc_protein_conservation

This script computes conservation score per aminoacid for a protein.

cdp4j

cdp4j - Chrome DevTools Protocol for Java

cloud-bind

Cloud-based Drug Binding Structure Prediction

compressor

Because we don't have enough time to read everything

cryptosite

Library for prediction of cryptic binding sites

deeplytough

difflinker

DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design

dmasif

electrostatic-potential

fast-random-forest

Good old Fran Supek FRF for weka. Automatically exported from code.google.com/p/fast-random-forest.

fasterforest

Fast Random Forests implementation for Weka. Streamlined version of Fan Supek's FastRandomForest.

fastrandomforest

A fast implementation of the Random Forest algorithm for the Weka environment

fpocket

Fork of https://github.com/Discngine/fpocket

funpdbe-validator

forked from https://gitlabci.ebi.ac.uk/pdbe-kb/funpdbe/funpdbe-validator.git

grasp