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colabfold

Making Protein folding accessible to all!

colide

CoLiDe: Combinatorial Library Design tool for probing protein sequence space

collapse

Advanced and Fast Data Transformation in R

combined_synthesis_planning

combinemols

Easy to combine two molecules

combining-structural-and-bioactivity-descriptors

files and scripts used for the study

community_software_tools_for_ngs

comp541---mars-markov-molecular-sampling-for-multi-objective-drug-discovery

ML Reproducibility Challenge "MARS: Markov Molecular Sampling for Multi-objective Drug Discovery" for COMP 541 Project

comp90042-2019

comp90042-2020

Workshop Materials of COMP90042 Natural Language Processing

compairr

Comparison of Adaptive Immune Receptor Repertoires

comparative-analysis

Scripts to perform analysis in Agreement between two large pan-cancer CRISPR-Cas9 gene dependency datasets

compchemtools

Play around repository for thinking of comp chem tools

compimmu

Development of a MHC Class I peptide binding predictor

compmedicineproject

Project repository for 02-518 project: designing a neoantigen immunogenicity prediction algorithm to predict binding affinities and immunogenicities of mutant protein-Human Leukocyte Antigen (HLA) peptide pairs

composite-peptide-macrocycle-generator

compound-pcfg

compound_cheminfo

Quick and dirty sample on how to do a quick compound evaluation on chemical properties

compret

CompRet: a comprehensive recommendation framework for chemical synthesis planning with algorithmic enumeration

compstruct

comptox-expocast-httk

The R package "httk" provides free, open-source data and models for toxicokinetics. The models are designed to use chemical-specific in vitro (animal free) measurements. The predictions can be used for traditional dosimetry as well as in vivo-in vitro extrapolation (IVIVE). This repository is for reporting bugs and contributing enhancements.

comptox-genra-acutetox-comptoxicol

comptox-toxcast-edspsteroidogenesis

comptox-toxcast-tcpl

computational-drug-discovery-using-python

I reproduced the research work of Delaney by predicting the solubility of molecules in Python using scikit-learn, rdkit and pandas libraries.

computationalproteindesign

compute_pka

Computes apparent pKa values from QM dat

computer-aided-retrosynthesis

This repository contains code belonging to the work done on computer aided retrosynthesis within the SURF HPML team.

computer_aided_drug_design

Tutorial materials on how to use simple, accessible CADD tools

concerto

Carcinogenicity prediction with graph neural networks