stdlib-js/complex-float32-base-add

Add two single-precision complex floating-point numbers.

Language: Python - Size: 196 KB - Last synced at: 5 days ago - Pushed at: 5 days ago - Stars: 0 - Forks: 0

RMeli/spyrmsd

📐 Symmetry-corrected RMSD in Python

Language: Python - Size: 776 KB - Last synced at: 9 days ago - Pushed at: 9 days ago - Stars: 98 - Forks: 9

pritampanda15/Drug-Designing

Drug Discovery Methods | Drug Designing Pipelines

Language: Jupyter Notebook - Size: 142 MB - Last synced at: 5 days ago - Pushed at: 6 months ago - Stars: 1 - Forks: 1

CyberCatQ/pyCADD

A python package for computer-aid drug design.

Language: Python - Size: 8.15 MB - Last synced at: 7 days ago - Pushed at: 8 months ago - Stars: 34 - Forks: 8

stdlib-js/complex-float64-base-add

Add two double-precision complex floating-point numbers.

Language: JavaScript - Size: 256 KB - Last synced at: 7 days ago - Pushed at: about 1 month ago - Stars: 0 - Forks: 0

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.

Size: 167 MB - Last synced at: 10 days ago - Pushed at: about 5 years ago - Stars: 6 - Forks: 8

filipsPL/CADD-PW

Computer Aided Drug Design / Komputerowe Wsparcie Projektowania Leków

Language: Python - Size: 58.2 MB - Last synced at: 15 days ago - Pushed at: 4 months ago - Stars: 11 - Forks: 1

gkxiao/waters

solvent thermodynamics in the binding site

Language: Python - Size: 2.28 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 0 - Forks: 0

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.

Language: Jupyter Notebook - Size: 40.9 MB - Last synced at: about 2 months ago - Pushed at: 6 months ago - Stars: 0 - Forks: 0

UnixJunkie/rankers

Reference implementation of the Vanishing Ranking Kernels (VRK) method

Language: OCaml - Size: 361 KB - Last synced at: about 1 month ago - Pushed at: over 2 years ago - Stars: 5 - Forks: 0

UnixJunkie/FASMIFRA

Molecular Generation by Fast Assembly of SMILES Fragments

Language: OCaml - Size: 1.71 MB - Last synced at: 7 months ago - Pushed at: 8 months ago - Stars: 50 - Forks: 8

stdlib-js/math-base-ops-cadd

Add two complex numbers.

Language: Python - Size: 656 KB - Last synced at: 1 day ago - Pushed at: 10 months ago - Stars: 1 - Forks: 0

ZeroDesigner/AwsomeCADD

好的CADD教程，资源总结

Size: 46.9 KB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 18 - Forks: 6

SamuelHomberg/virtual_screening_example

A short notebook with a similarity based virtual screening example.

Language: Jupyter Notebook - Size: 412 KB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 0 - Forks: 0

UnixJunkie/hts_shrink

Reference implementation of the Distance-Based Boolean Applicability Domain for HTS datasets

Language: OCaml - Size: 2.55 MB - Last synced at: about 1 month ago - Pushed at: over 1 year ago - Stars: 7 - Forks: 2

manonreau/webpage

Manon Réau, Bonvin Lab, CSB, UU, CNAM, GBCM, NR-DBIND, CADD, drug design, chemoinformatics, Theranalpha, TNF, Nuclear Receptors, negative data, benchmark

Language: SCSS - Size: 3.23 MB - Last synced at: over 1 year ago - Pushed at: almost 2 years ago - Stars: 0 - Forks: 0

Peldom/Peplib_Generator

The one model for genesis of peptide ligands

Size: 14.8 MB - Last synced at: 3 months ago - Pushed at: over 2 years ago - Stars: 8 - Forks: 0

wAnnotate/webAnnotate

Annotates VCF files with data from public databases such as Ensembl, COSMIC, CiViC, etc.

Language: Python - Size: 4.8 MB - Last synced at: about 2 years ago - Pushed at: about 3 years ago - Stars: 2 - Forks: 0

mbongaerts/Reafect

Language: Jupyter Notebook - Size: 1.73 MB - Last synced at: about 2 years ago - Pushed at: almost 3 years ago - Stars: 0 - Forks: 0

jianhuig/Integrate-gwas

Language: R - Size: 119 KB - Last synced at: about 2 years ago - Pushed at: over 3 years ago - Stars: 1 - Forks: 0