johnmay/beam external links

---

GitHub - View repository

GitHub.dev - Open in online code editor

Star history - Growth chart over time

deps.dev - Dependencies and security vulnerabilities

Gitingest - Export source code for LLM usage

Repomix - Export source code for LLM usage

uithub - Export source code for LLM usage

Close

johnmay/beam

Readme badge preview -

If you own this repo, copy the snippet below and add it to your README.md

---

Copy

[![RelatedRepos](https://img.shields.io/badge/related-repos-yellow)](https://relatedrepos.com/gh/johnmay/beam)

Close

johnmay / beamView on GitHubMore

• External links
• Readme badge

SMILES Toolkit

☆25Jul 9, 2025Updated 8 months ago

Alternatives and similar repositories for beam

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

• nextmovesoftware / molhash

  View on GitHub
  Create molecular hashes
  ☆27Jul 18, 2019Updated 6 years ago
• teaguesterling / rdalchemy

  View on GitHub
  RDKit integration to SQLAlchemy
  ☆10Oct 6, 2020Updated 5 years ago
• nextmovesoftware / smilesreading

  View on GitHub
  SMILES reading benchmark
  ☆16Aug 17, 2018Updated 7 years ago
• rdkit / UGM_2019

  View on GitHub
  ☆16Oct 28, 2019Updated 6 years ago
• openphacts / OPS-Knime

  View on GitHub
  Project for integration of OPS and the Knime workflow engine
  ☆14Aug 12, 2015Updated 10 years ago
• rvianello / razi

  View on GitHub
  A cheminformatics extension for the SQLAlchemy database toolkit.
  ☆40Sep 11, 2025Updated 6 months ago
• dkoes / Open-Source-Molecular-Modelling

  View on GitHub
  ☆16May 11, 2016Updated 9 years ago
• connorcoley / conv_qsar_fast

  View on GitHub
  ☆49Sep 12, 2017Updated 8 years ago
• sustainable-processes / multitask

  View on GitHub
  Accelerating Bayesian reaction optimization with limited data
  ☆12Aug 5, 2023Updated 2 years ago
• baoilleach / partialsmiles

  View on GitHub
  A validating SMILES parser, with support for incomplete SMILES
  ☆29Jan 14, 2025Updated last year
• chemalot / chemalot

  View on GitHub
  chemalot: a command-line cheminformatics open-source package
  ☆39Jun 4, 2023Updated 2 years ago
• lhm30 / PIDGINv2

  View on GitHub
  PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)
  ☆31Jul 19, 2019Updated 6 years ago
• rdkit / UGM_2018

  View on GitHub
  2018 RDKit UGM
  ☆14Sep 28, 2018Updated 7 years ago
• dkoes / show_contacts

  View on GitHub
  PyMOL Plugin for displaying polar contacts
  ☆18Mar 11, 2019Updated 7 years ago
• chembl / chembl_webservices_2

  View on GitHub
  Source code of the ChEMBL web services.
  ☆17Mar 13, 2019Updated 7 years ago
• bm2-lab / FL-QSAR

  View on GitHub
  ☆12Dec 10, 2020Updated 5 years ago
• CommonChem / CommonChem

  View on GitHub
  ☆14May 9, 2018Updated 7 years ago
• UnixJunkie / smi2sdf3d

  View on GitHub
  3D diverse conformers generation using rdkit
  ☆23Mar 10, 2022Updated 4 years ago
• illidanlab / MolSearch

  View on GitHub
  Implementation of MolSearch paper
  ☆23Sep 9, 2023Updated 2 years ago
• samirelanduk / ZincBindDB

  View on GitHub
  The database and API backend for ZincBind - the database of zinc binding sites
  ☆16Apr 8, 2025Updated 11 months ago
• timvdm / Smiley

  View on GitHub
  An OpenSMILES compliant C++ SMILES/SMARTS parser
  ☆15Jul 19, 2015Updated 10 years ago
• unmtransinfo / TCRD

  View on GitHub
  Code to build the Target Central Resource Database (TCRD).
  ☆11Jul 20, 2021Updated 4 years ago
• jensengroup / GB-GM

  View on GitHub
  Graph-based generative model
  ☆26Jan 6, 2026Updated 2 months ago
• iwatobipen / rdkit_pains

  View on GitHub
  pains filter using rdktit
  ☆10Mar 17, 2015Updated 11 years ago
• opentargets-archive / data_pipeline

  View on GitHub
  Code for the data processing pipeline
  ☆17Jun 21, 2021Updated 4 years ago
• GLambard / SMILES-X

  View on GitHub
  Autonomous characterization of molecular compounds from small datasets without descriptors
  ☆45Jun 25, 2025Updated 8 months ago
• aspuru-guzik-group / assessing_mol_prediction_confidence

  View on GitHub
  https://arxiv.org/abs/2102.11439
  ☆21Apr 13, 2021Updated 4 years ago
• StefanKohlbacher / QuantPharmacophore

  View on GitHub
  Code available for the quantitative pharmacophores
  ☆12Sep 7, 2022Updated 3 years ago
• xnuohz / awesome-drug-discovery

  View on GitHub
  A collection of drug discovery, classification and representation learning papers with deep learning.
  ☆42Nov 15, 2021Updated 4 years ago
• SiMolecule / centres

  View on GitHub
  Perception and labelling of stereogenic centres in chemical structures
  ☆20Jan 30, 2024Updated 2 years ago
• keiserlab / LUNA

  View on GitHub
  ☆63Sep 18, 2025Updated 6 months ago
• timvdm / Helium

  View on GitHub
  A lightweight generic cheminformatics toolkit
  ☆19Apr 14, 2016Updated 9 years ago
• baoilleach / deepsmiles

  View on GitHub
  DeepSMILES - A variant of SMILES for use in machine-learning
  ☆145May 24, 2021Updated 4 years ago
• pnnl / mol_dgnn

  View on GitHub
  Molecular Dynamic Graph Neural Network
  ☆20Aug 5, 2021Updated 4 years ago
• cdk / cdk

  View on GitHub
  The Chemistry Development Kit
  ☆575Mar 14, 2026Updated last week
• nanxstats / Rcpi

  View on GitHub
  💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery
  ☆37Sep 18, 2024Updated last year
• cekkr / oset

  View on GitHub
  A chemical Organic Synthesis Exploration Tool
  ☆11Nov 19, 2018Updated 7 years ago
• cdk / depict

  View on GitHub
  SMILES Depiction Generator
  ☆65Mar 8, 2026Updated last week
• swansonk14 / chemprop-factor

  View on GitHub
  Matrix factorization and deep learning for molecular property prediction
  ☆13Apr 4, 2019Updated 6 years ago