Layered Chemical Identifier
☆14Jun 12, 2026Updated 4 months ago
Alternatives and similar repositories for lychi
Users that are interested in lychi are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Project for integration of OPS and the Knime workflow engine☆14Aug 12, 2015Updated 11 years ago
- Fast SSE2/SSE3-based code for structural RMSD computation☆13Nov 19, 2012Updated 13 years ago
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- SMILES Toolkit☆27Sep 2, 2026Updated last month
- Simplex representation of molecular structure - a chemoinformatic tool for calculation of simplex descriptors☆15Apr 13, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Create molecular hashes☆27Jul 18, 2019Updated 7 years ago
- Pharmacophore tool based on OpenEye toolkits☆10Feb 22, 2016Updated 10 years ago
- An OpenSMILES compliant C++ SMILES/SMARTS parser☆16Jul 19, 2015Updated 11 years ago
- A lightweight generic cheminformatics toolkit☆21Apr 14, 2016Updated 10 years ago
- chemalot: a command-line cheminformatics open-source package☆40Jun 4, 2023Updated 3 years ago
- ☆12Dec 10, 2020Updated 5 years ago
- Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)☆13Jun 15, 2017Updated 9 years ago
- Yet another ML method comparison☆16Nov 20, 2022Updated 3 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Jan 17, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- SMARTS: 'regular expressions' for chemical structures☆24Jun 21, 2018Updated 8 years ago
- A simple and extensible open source web bulletin board.☆16Feb 16, 2011Updated 15 years ago
- Protein-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 years ago
- Code to build the Target Central Resource Database (TCRD).☆11Jul 20, 2021Updated 5 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Implementation of MolSearch paper☆24Sep 9, 2023Updated 3 years ago
- Code available for the quantitative pharmacophores☆13Sep 7, 2022Updated 4 years ago
- Program to create tautomers and ionisation states relevant to physiological pH.☆10May 8, 2017Updated 9 years ago
- Code for the data processing pipeline☆17Jun 21, 2021Updated 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.
- Paper: Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning☆10Jun 26, 2020Updated 6 years ago
- ☆14Oct 16, 2022Updated 4 years ago
- ☆13Aug 5, 2025Updated last year
- ☆11Jan 23, 2019Updated 7 years ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 3 years ago
- Target prediction☆14May 8, 2020Updated 6 years ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- The OpenSMILES specification☆14May 13, 2020Updated 6 years ago
- 3D diverse conformers generation using rdkit☆23Mar 10, 2022Updated 4 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A purely functional cheminformatics toolkit written in Scala☆16Jun 7, 2013Updated 13 years ago
- A library for writing chemical and biological data management systems☆10Oct 24, 2019Updated 7 years ago
- PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)☆31Jul 19, 2019Updated 7 years ago
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 3 years ago
- Another Molecular String Representation☆11Oct 22, 2026Updated last week
- ☆13Jul 13, 2019Updated 7 years ago
- OCEAN - Optimized Cross rEActivity estimatioN☆12Apr 29, 2020Updated 6 years ago