cadd

There are 2 repositories under cadd topic.

RMeli / spyrmsd
📐 Symmetry-corrected RMSD in Python
rmsd symmetry cadd computational-biology computational-chemistry computer-aided-drug-design docking drug-discovery molecular-docking
Language:Python 72
UnixJunkie / FASMIFRA
Molecular Generation by Fast Assembly of SMILES Fragments
smiles molecular-generation molecular-fragments deepsmiles distribution-matching cadd
Language:Python 46
CyberCatQ / pyCADD
A python package for computer-aid drug design.
cadd schrodinger molecular-dynamics computer-aid-drug-design python ambermd
Language:Python 27
ZeroDesigner / AwsomeCADD
好的CADD教程，资源总结
cadd
20
filipsPL / CADD-PW
Computer Aided Drug Design / Komputerowe Wsparcie Projektowania Leków
cadd drug-discovery drug-design leki pymol knime marvin
Language:Python 11
Peplib_Generator
Peldom / Peplib_Generator
The one model for genesis of peptide ligands
cadd aidd text-generator deep-learning peptide-prediction
8
UnixJunkie / hts_shrink
Reference implementation of the Distance-Based Boolean Applicability Domain for HTS datasets
hts lbvs ocaml-program chemoinformatics applicability-domain cadd sample-selection parzen-window bandwidth-selection qsar
Language:OCaml 7
chenxingqiang / Awesome_AI_Aided_Drug_Design_Papers
https://chenxingqiang.github.io/Awesome_AI_Aided_Drug_Design_Papers/
drug drug-discovery cadd ai gnn
6
UnixJunkie / rankers
Reference implementation of the Vanishing Ranking Kernels (VRK) method
ocaml-program hts qsar lbvs chemoinformatics bandwidth-selection applicability-domain classification cadd kde vrk
Language:OCaml 6
wAnnotate / webAnnotate
Annotates VCF files with data from public databases such as Ensembl, COSMIC, CiViC, etc.
annotation mutation cosmic ncbi cadd civic vcf
Language:Python 2
jianhuig / Integrate-gwas
eigen-score gwas functional-annotations-scores annovar cadd
Language:R 1
mbongaerts / Reafect
metabolomics omics-data-integration cadd gene-prioritization kegg-pathway
Language:Jupyter Notebook 1
stdlib-js / math-base-ops-cadd
Add two complex numbers.
nodejs javascript stdlib node node-js mathematics math cadd add addition sum arithmetic complex cmplx number
Language:Makefile 1
manonreau / webpage
Manon Réau, Bonvin Lab, CSB, UU, CNAM, GBCM, NR-DBIND, CADD, drug design, chemoinformatics, Theranalpha, TNF, Nuclear Receptors, negative data, benchmark
manon nr-dbind reau drugdesign cadd chemoinformatics cnam bonvinlab gbcm structural biology
Language:SCSS 0
gkxiao / waters
solvent thermodynamics in the binding site
cadd water sbdd solvation solvation-dynamics
lm-ut / CADD_summary
Python script providing summary of CADD scores conditioned on several options
cadd python vep
Language:Python