Alternatives and similar repositories for py4chemoinformatics

Users that are interested in py4chemoinformatics are comparing it to the libraries listed below

• hkaneko1985 / python_data_analysis_ohmsha
  「化学のためのPythonによるデータ解析・機械学習入門」サンプルプログラム
  ☆57Updated last month
• elix-tech / kmol
  kMoL is a machine learning library for drug discovery and life sciences, with federated learning capabilities.
  ☆49Updated 2 months ago
• resnant / dmol-book-japanese
  Japanese translation of "Deep learning for molecules and materials book"
  ☆16Updated 2 years ago
• kaityo256 / mdstep
  分子動力学法ステップ・バイ・ステップ
  ☆15Updated 5 years ago
• funatsu-lab / support-page
  技術書のサポートページです
  ☆9Updated 4 years ago
• souyakuchan / LLM_DD_Challenge
  Dashboard for LLM Drug Discovery Challenge.
  ☆13Updated last year
• yoshida-lab / XenonPy
  XenonPy is a Python Software for Materials Informatics
  ☆140Updated 10 months ago
• masashitsubaki / QuantumDeepField_molecule
  Quantum deep field for molecule
  ☆217Updated 4 years ago
• MolecularAI / deep-molecular-optimization
  Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
  ☆148Updated 2 years ago
• MasatakaYm / Molecular-Simulation
  分子シミュレーションの理論や関連するトピックをまとめたノート
  ☆25Updated last year
• clinfo / kGCN
  A graph-based deep learning framework for life science
  ☆121Updated last year
• CueMol / cuemol2
  CueMol: Molecular Visualization Framework
  ☆16Updated 2 months ago
• molecule-generator-collection / ChemTSv2
  Refined and extended version of ChemTS
  ☆99Updated last month
• joofio / py4chemoinformatics
  Python for chemoinformatics
  ☆112Updated 4 years ago
• MolecularAI / Reinvent
  ☆351Updated last year
• Acellera / moleculekit
  MoleculeKit: Your favorite molecule manipulation kit
  ☆219Updated last week
• mordred-descriptor / mordred
  a molecular descriptor calculator
  ☆402Updated last year
• hkaneko1985 / python_doe_kspub
  Pythonで学ぶ実験計画法入門　ベイズ最適化によるデータ解析
  ☆73Updated 2 years ago
• rociomer / dl-chem-101
  Example implementations of common machine learning projects in chemistry.
  ☆169Updated 8 months ago
• samoturk / mol2vec
  Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
  ☆264Updated 2 years ago
• Kitaolab / PaCS-Toolkit
  PaCS-Toolkit: Optimized software utilities for PaCS-MD and following analysis
  ☆18Updated last month
• Mishima-syk / psikit
  psi4+RDKit
  ☆101Updated this week
• AngelRuizMoreno / Jupyter_Dock
  Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…
  ☆267Updated last year
• chemosim-lab / ProLIF
  Interaction Fingerprints for protein-ligand complexes and more
  ☆410Updated this week
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆171Updated 5 years ago
• chembl / ChEMBL_Structure_Pipeline
  ChEMBL database structure pipelines
  ☆202Updated 8 months ago
• tsudalab / ChemGE
  Population-based De Novo Molecule Generation, Using Grammatical Evolution
  ☆41Updated 4 years ago
• cbouy / mols2grid
  Interactive molecule viewer for 2D structures
  ☆219Updated last year
• ecrl / padelpy
  A Python wrapper for PaDEL-Descriptor software
  ☆203Updated 2 weeks ago
• kanojikajino / ml4chem
  「機械学習による分子最適化」のサポートページ
  ☆12Updated last year