Alternatives and similar repositories for pka:

Users that are interested in pka are comparing it to the libraries listed below

• sekijima-lab / mermaid
  ☆12Updated 3 years ago
• KramerChristian / NonadditivityAnalysis
  Code to analyze SAR datasets for Nonadditivity
  ☆18Updated 3 years ago
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆11Updated 5 years ago
• rdkit / AutomatedSeriesClassification
  ☆22Updated 3 years ago
• Albert-Lau-Lab / tactics_protein_analysis
  ☆17Updated 11 months ago
• Abdulk084 / CardioTox
  ☆18Updated last week
• czodrowskilab / Multiprotic-pKa-Processing
  ☆13Updated 2 years ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆24Updated 8 months ago
• iwatobipen / rdkit_pains
  pains filter using rdktit
  ☆11Updated 9 years ago
• sdecesco / CNS_MPO
  Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score
  ☆10Updated 6 years ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆43Updated 2 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆18Updated last year
• volkamerlab / kissim_app
  Kinome-wide structural pocket similarity
  ☆10Updated 2 years ago
• oxpig / STRIFE
  ☆16Updated 2 years ago
• Jonas-Verhellen / MolecularGraphPareto
  ☆13Updated last year
• PatWalters / fragment_expansion
  Software tools for fragment-based drug discovery (FBDD)
  ☆27Updated 4 years ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆40Updated 4 years ago
• rareylab / InteractionDrawer
  InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.
  ☆18Updated last year
• LindeSchoenmaker / SMILES-corrector
  ☆24Updated 8 months ago
• bigginlab / WaterDock-2.0
  WaterDock-2.0 implementation with Akshay Sridhar
  ☆15Updated last year
• UnixJunkie / dimorphite_dl
  Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/
  ☆17Updated 2 years ago
• jcheminform / fpadmet
  ☆9Updated 3 years ago
• MolecularAI / reinvent-hitl
  Code for paper "Human-in-the-Loop Assisted de Novo Molecular Design".
  ☆22Updated last year
• PatWalters / sfi
  An implementation of the Solubility Forecast Index (SFI)
  ☆20Updated 2 years ago
• grisoniFr / whales_descriptors
  python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors
  ☆26Updated 3 years ago
• pgniewko / solubility
  My (small) research project in solubility of drug-like molecules
  ☆18Updated 4 years ago
• alberdom88 / moo-denovo
  Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization
  ☆13Updated 4 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆23Updated last year