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acsess

ACSESS is the Algorithm for Chemical Space Exploration with Stochastic Search, which is developed by Dr. Aaron M. Virshup in Beratan Group.

autodock-vina

AutoDock Vina

code

Compilation of R and Python programming codes on the Data Professor YouTube channel.

codewars-demo

combs_pub

maui

Multi-omics Autoencoder Integration: Deep learning-based heterogenous data analysis toolkit

mmtf-pyspark

Methods for the parallel and distributed analysis and mining of the Protein Data Bank using MMTF and Apache Spark.

mmtf-spark

Methods for the parallel and distributed analysis and mining of the Protein Data Bank using MMTF and Apache Spark.

openchem

OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

protein_ml

Machine learning workflows for analyzing high-throughput protein data

release

Deep Reinforcement Learning for de-novo Drug Design