cadd
There are 21 repositories under cadd topic.
RMeli/spyrmsd
📐 Symmetry-corrected RMSD in Python
UnixJunkie/FASMIFRA
Molecular Generation by Fast Assembly of SMILES Fragments
CyberCatQ/pyCADD
A python package for computer-aid drug design.
ZeroDesigner/AwsomeCADD
好的CADD教程，资源总结
filipsPL/CADD-PW
Computer Aided Drug Design / Komputerowe Wsparcie Projektowania Leków
Peldom/Peplib_Generator
The one model for genesis of peptide ligands
UnixJunkie/hts_shrink
Reference implementation of the Distance-Based Boolean Applicability Domain for HTS datasets
chenxingqiang/Awesome_AI_Aided_Drug_Design_Papers
https://chenxingqiang.github.io/Awesome_AI_Aided_Drug_Design_Papers/ focusing on ai, gnn, drug, Virtual Screening, Journals.
UnixJunkie/rankers
Reference implementation of the Vanishing Ranking Kernels (VRK) method
wAnnotate/webAnnotate
Annotates VCF files with data from public databases such as Ensembl, COSMIC, CiViC, etc.
SamuelHomberg/virtual_screening_example
A short notebook with a similarity based virtual screening example.
stdlib-js/math-base-ops-cadd
Add two complex numbers.
GiatrasKon/PTEN-MolecularDynamics-DrugDesign
Comprehensive molecular dynamics simulations and drug design analysis for PTEN protein: workflows include protein dynamics, binding site detection, ligand screening, and filtering for therapeutic discovery.
lm-ut/CADD_summary
Python script providing summary of CADD scores conditioned on several options
manonreau/webpage
Manon Réau, Bonvin Lab, CSB, UU, CNAM, GBCM, NR-DBIND, CADD, drug design, chemoinformatics, Theranalpha, TNF, Nuclear Receptors, negative data, benchmark
pritampanda15/Drug-Designing
Drug Discovery Methods | Drug Designing Pipelines
gkxiao/waters
solvent thermodynamics in the binding site
stdlib-js/complex-float32-base-add
Add two single-precision complex floating-point numbers.
stdlib-js/complex-float64-base-add
Add two double-precision complex floating-point numbers.