Python script to perform fingerprinting and calculate Tanimoto similarities on multiple compounds.
☆21Mar 29, 2025Updated last year
Alternatives and similar repositories for tanimoto_similarities
Users that are interested in tanimoto_similarities are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Yasara plugins for Gromacs users☆33Jan 8, 2024Updated 2 years ago
- Auto in silico Consensus Inverse Docking(ACID) is a web server mainly for drug repurposing based on the consensus inverse docking method…☆13Aug 22, 2019Updated 6 years ago
- Electronic lab notebook for organic chemistry☆16Apr 1, 2026Updated last week
- MM/PBSA binding free energy calculation☆22May 31, 2024Updated last year
- A Thermo XCalibur Method (.meth) file reader, extracter, and converter command-line program for mass spectrometry researchers.☆13Jan 13, 2019Updated 7 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Traversals in Rust☆21Oct 10, 2016Updated 9 years ago
- HUMOS is a web application aimed to help teaching Orbitrap mass spectrometry. HUMOS models a mass spectrum of a peptide mixture allowing …☆11Mar 10, 2025Updated last year
- Website for visualizing predicted drug side-effects using L1000 data (http://maayanlab.net/SEP-L1000/)☆10Apr 15, 2022Updated 3 years ago
- ☆12Jul 30, 2019Updated 6 years ago
- Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.☆11Jul 15, 2024Updated last year
- blogpost notebooks☆20Aug 18, 2020Updated 5 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆12Feb 22, 2022Updated 4 years ago
- Web Platform made with Python and NextJS for automating GROMACS simulations☆36Mar 31, 2026Updated last week
- Python package implementing our method MatchCLOT for multimodal single-cell data integration☆14May 19, 2023Updated 2 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.
- Some demos using Nvidia RAPIDS for Cheminformatics☆13Aug 17, 2020Updated 5 years ago
- ☆12Nov 15, 2020Updated 5 years ago
- Tools for generating and decoding error-correcting DNA barcodes☆15Feb 15, 2022Updated 4 years ago
- Simple PoC to issue JSON Web Tokens (JWTs) with a canister on the Internet Computer.☆11Sep 10, 2022Updated 3 years ago
- Some useful VMD scrpits☆10May 24, 2016Updated 9 years ago
- The gview wiki migrated to GitHub.☆11Sep 3, 2020Updated 5 years ago
- Rust bindings to chemfiles☆17Mar 9, 2026Updated last month
- Automatic CHARMM-GUI browser interaction with Python☆18Mar 20, 2023Updated 3 years ago
- Predict allosteric pockets on proteins☆15Mar 28, 2022Updated 4 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Cloud-based molecular docking for everyone☆12Jul 1, 2024Updated last year
- ☆11Oct 23, 2025Updated 5 months ago
- ☆16Oct 6, 2024Updated last year
- ☆12Jun 3, 2019Updated 6 years ago
- GitHub Repository for "Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor"☆12Jul 25, 2024Updated last year
- ☆32Feb 21, 2026Updated last month
- Ready-To-Use Pymol Plugin for Docking and Minimization☆12Nov 15, 2025Updated 4 months ago
- H2O Open Source Kubernetes operator and a command-line tool to ease deployment (and undeployment) of H2O open-source machine learning pla…☆25Oct 24, 2024Updated last year
- ☆12Dec 21, 2021Updated 4 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Screening protocol with AUTODOCK-GPU☆14Feb 27, 2023Updated 3 years ago
- Different run and analysis scripts as described in the research guides.☆14Jul 5, 2022Updated 3 years ago
- ☆66Feb 16, 2021Updated 5 years ago
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆22Mar 30, 2026Updated last week
- ☆16Apr 24, 2025Updated 11 months ago
- Source code of Venus-MAXWELL: Efficient Learning of Protein-Mutation Stability Landscapes using Protein Language Models☆23Jun 3, 2025Updated 10 months ago
- ☆17Apr 10, 2024Updated last year