A validating SMILES parser, with support for incomplete SMILES
☆31Jan 14, 2025Updated last year
Alternatives and similar repositories for partialsmiles
Users that are interested in partialsmiles are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- SMILES reading benchmark☆16Aug 17, 2018Updated 8 years ago
- Create molecular hashes☆27Jul 18, 2019Updated 7 years ago
- An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings☆13Feb 1, 2025Updated last year
- ☆13Jul 13, 2019Updated 7 years ago
- ☆15May 9, 2018Updated 8 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- An OpenSMILES compliant C++ SMILES/SMARTS parser☆16Jul 19, 2015Updated 11 years ago
- The OpenSMILES specification☆27May 5, 2026Updated 4 months ago
- Contains relevant project files to publicly available tautomer database "Tautobase"☆24Nov 8, 2022Updated 3 years ago
- ChemoPy: freely available python package for computational biology and chemoinformatics.☆15May 30, 2021Updated 5 years ago
- IUPAC SMILES+ Specification☆43Dec 12, 2023Updated 2 years ago
- A lightweight generic cheminformatics toolkit☆20Apr 14, 2016Updated 10 years ago
- Another Molecular String Representation☆11Aug 20, 2026Updated last month
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Target prediction☆14May 8, 2020Updated 6 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- RDKit integration to SQLAlchemy☆10Oct 6, 2020Updated 5 years ago
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆24Feb 1, 2022Updated 4 years ago
- DNA Encoded Library Data Analysis toolkit for DEL data analysis☆10Jun 12, 2025Updated last year
- A collection of small scripts and utilities that would otherwise float around in other repositories☆15Apr 4, 2025Updated last year
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- MayaChemTools is a growing collection of Perl and Python scripts, modules, and classes to support a variety of day-to-day computational d…☆10Sep 1, 2020Updated 6 years ago
- Molecular MHFP fingerprints for cheminformatics applications☆98Feb 16, 2023Updated 3 years ago
- A lightweight python-only library for reading and writing SMILES strings☆164Jul 6, 2026Updated 2 months ago
- ☆51Oct 8, 2020Updated 5 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!☆25Oct 2, 2024Updated last year
- Augmented Reality App☆10Nov 24, 2016Updated 9 years ago
- A collection of molecular modelling tools for UCSF Chimera☆18Mar 26, 2019Updated 7 years ago
- SMILES Toolkit☆25Sep 2, 2026Updated 2 weeks ago
- An SQLite extension for chemoinformatics applications.☆64Oct 17, 2025Updated 11 months ago
- Python script to lookup pKa values☆26Aug 6, 2026Updated last month
- ☆24Jun 23, 2021Updated 5 years ago
- ☆13Oct 21, 2018Updated 7 years ago
- ANNalog package☆27Aug 27, 2026Updated 3 weeks ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Generate images of molecules and their properties for use in presentations and reports☆44Jul 21, 2022Updated 4 years ago
- Drug-Target Interaction Prediction Using Convolutional Neural Networks By Images of Compounds☆10Jun 16, 2020Updated 6 years ago
- Shaded 😎 quantile plots☆12Apr 14, 2022Updated 4 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Jul 18, 2024Updated 2 years ago
- MolEnc: a molecular encoder using rdkit and OCaml.☆21May 12, 2026Updated 4 months ago
- Integrating R and the CDK☆45Nov 30, 2025Updated 9 months ago
- Yet another ML method comparison☆16Nov 20, 2022Updated 3 years ago