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
- ☆13Jul 13, 2019Updated 7 years ago
- An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings☆14Feb 1, 2025Updated last year
- Pharmacophore software by Silicos☆11May 22, 2017Updated 9 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- An OpenSMILES compliant C++ SMILES/SMARTS parser☆16Jul 19, 2015Updated 11 years ago
- IUPAC SMILES+ Specification☆43Dec 12, 2023Updated 2 years ago
- ☆15May 9, 2018Updated 8 years ago
- A collection of molecular modelling tools for UCSF Chimera☆18Mar 26, 2019Updated 7 years ago
- Contains relevant project files to publicly available tautomer database "Tautobase"☆25Nov 8, 2022Updated 3 years ago
- ☆24Jun 23, 2021Updated 5 years ago
- Structural similarity benchmark☆11Dec 6, 2017Updated 8 years ago
- ChemoPy: freely available python package for computational biology and chemoinformatics.☆15May 30, 2021Updated 5 years ago
- 3D molecular fingerprints (E3FP) paper repo☆15Mar 14, 2021Updated 5 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- The OpenSMILES specification☆27May 5, 2026Updated 5 months ago
- ☆12Jan 15, 2016Updated 10 years ago
- A lightweight generic cheminformatics toolkit☆21Apr 14, 2016Updated 10 years ago
- RDKit integration to SQLAlchemy☆10Oct 6, 2020Updated 6 years ago
- Predicting the effect of mutations on protein stability and protein-protein interaction affinity.☆10Mar 29, 2021Updated 5 years ago
- A lightweight python-only library for reading and writing SMILES strings☆164Oct 7, 2026Updated 3 weeks ago
- Another Molecular String Representation☆11Oct 22, 2026Updated last week
- A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.☆20Jun 5, 2025Updated last year
- Molecular MHFP fingerprints for cheminformatics applications☆99Feb 16, 2023Updated 3 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Augmented Reality App☆10Nov 24, 2016Updated 9 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- A collection of small scripts and utilities that would otherwise float around in other repositories☆15Apr 4, 2025Updated last year
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆24Feb 1, 2022Updated 4 years ago
- A Fast Chemical Graph Generator☆101Mar 5, 2026Updated 7 months ago
- Target prediction☆14May 8, 2020Updated 6 years ago
- Shaded 😎 quantile plots☆12Apr 14, 2022Updated 4 years ago
- DNA Encoded Library Data Analysis toolkit for DEL data analysis☆10Jun 12, 2025Updated last year
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- 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
- Paper: Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning☆10Jun 26, 2020Updated 6 years ago
- Schema for the Open Reaction Database☆116Updated this week
- Deprecated, visit chembience/core for further develompment. (A Docker-based, cloudable platform for the development of chemoinformatics-c…☆47May 27, 2026Updated 5 months ago
- SMILES Toolkit☆27Sep 2, 2026Updated last month
- Tool to add substructure highlighting to molecules drawn with RDKit☆11Feb 11, 2022Updated 4 years ago
- Drug-Target Interaction Prediction Using Convolutional Neural Networks By Images of Compounds☆10Jun 16, 2020Updated 6 years ago