An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings
☆13Feb 1, 2025Updated last year
Alternatives and similar repositories for smizip
Users that are interested in smizip are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A validating SMILES parser, with support for incomplete SMILES☆29Jan 14, 2025Updated last year
- Hückel model + JAX☆13Oct 13, 2022Updated 3 years ago
- ☆13Aug 5, 2025Updated 7 months ago
- The code corresponding to Predictive Minisci Late Stage Functionalization with Transfer Learning☆12Nov 20, 2024Updated last year
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- ☆14May 9, 2018Updated 7 years ago
- Chiral Version of the MinHashed Atom-Pair Fingerprint☆24Dec 20, 2024Updated last year
- A lightweight generic cheminformatics toolkit☆19Apr 14, 2016Updated 9 years ago
- MolEnc: a molecular encoder using rdkit and OCaml.☆21Mar 10, 2026Updated 2 weeks ago
- ☆20Jan 31, 2021Updated 5 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆81Jun 1, 2025Updated 9 months ago
- Flask backend for the Pitt Quantum Repository website☆16Apr 16, 2023Updated 2 years ago
- SMILES reading benchmark☆16Aug 17, 2018Updated 7 years ago
- Code and software used to design de novo protein nanomachines. Supplementary material for "Computational design of nanoscale rotational m…☆10Mar 19, 2022Updated 4 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- For analysis of calibration, performance, and generalizability of probabilistic models on small molecular datasets. Paper on RSC Digital …☆22May 11, 2023Updated 2 years ago
- Awesome list of the data and AI/ML related projects with direct Life Science Companies participation☆37Sep 13, 2024Updated last year
- ☆17Mar 5, 2023Updated 3 years ago
- Synthetic Bayesian Classification☆50Jan 18, 2021Updated 5 years ago
- python code for the JUAMI potentiostat☆11Mar 22, 2026Updated last week
- Code to support the paper: P. van Gerwen, K. R. Briling, C. Bunne, V. R. Somnath, R. Laplaza, A. Krause, C. Corminboeuf, "3DReact: Geomet…☆24Nov 6, 2025Updated 4 months ago
- LoQI: Low Energy QM Informed Conformer Generation☆52Mar 10, 2026Updated 2 weeks ago
- JSME Molecule Editor ipywidget for jupyter notebook☆12Jul 5, 2025Updated 8 months ago
- Synthetic Accessibility via Fragment Assembly Generation☆22Mar 16, 2026Updated 2 weeks ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆12Mar 15, 2026Updated 2 weeks ago
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆46Jun 4, 2025Updated 9 months ago
- ☆12Oct 21, 2018Updated 7 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- See http://dx.doi.org/10.1039/C7SC04156J for more details☆11Aug 28, 2023Updated 2 years ago
- Machine learning for molecules workshop 2022☆13Nov 30, 2022Updated 3 years ago
- GUIDEMOL: a Python graphical user interface for molecular descriptors based on RDKit☆14Jan 25, 2024Updated 2 years ago
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆12May 25, 2020Updated 5 years ago
- Reaction SMILES-AA mapping via language modelling☆29Sep 11, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- This repository contains the inference, model and tokenizer code for the Molecular Fingerprinting model MFBERT.☆12Nov 8, 2021Updated 4 years ago
- Evolutionary Monte Carlo algorithm for optimization in chemical space.☆13Feb 9, 2026Updated last month
- Implementation of various machine learning representations for molecules☆25Jan 7, 2022Updated 4 years ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Mar 11, 2026Updated 2 weeks ago
- Experimental small molecule hydration free energy dataset☆31Mar 29, 2022Updated 4 years ago
- ☆11Jun 11, 2025Updated 9 months ago
- Getting started docs, examples, tutorials, and use cases.☆11Jun 15, 2021Updated 4 years ago