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☆34Jan 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
- 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
- Traversals in Rust☆21Oct 10, 2016Updated 9 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- 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
- Multiplexed data-independent acquisition (plexDIA) for increasing proteomics throughput. The code is distributed by an MIT license.☆11Mar 17, 2025Updated last year
- Website for visualizing predicted drug side-effects using L1000 data (http://maayanlab.net/SEP-L1000/)☆10Apr 15, 2022Updated 4 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
- ☆22May 5, 2021Updated 5 years ago
- blogpost notebooks☆20Aug 18, 2020Updated 5 years ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆14Dec 7, 2021Updated 4 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
- 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.
- A Web Platform for molecular dynamics automation☆38May 9, 2026Updated last week
- Python package implementing our method MatchCLOT for multimodal single-cell data integration☆14May 19, 2023Updated 3 years ago
- 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.☆12Sep 10, 2022Updated 3 years ago
- Some useful VMD scrpits☆10May 24, 2016Updated 9 years ago
- Rust bindings to chemfiles☆17Mar 9, 2026Updated 2 months ago
- Automatic CHARMM-GUI browser interaction with Python☆19Mar 20, 2023Updated 3 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.
- gabor filter bank, sift and bag of visual words implementation☆11Jul 20, 2019Updated 6 years ago
- Predict allosteric pockets on proteins☆15Mar 28, 2022Updated 4 years ago
- Cloud-based molecular docking for everyone☆12Jul 1, 2024Updated last year
- ☆11May 12, 2026Updated last week
- ☆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
- novoStoic2.0: Integrated Pathway Design Tool with Thermodynamic Considerations and Enzyme Selection☆11Apr 28, 2025Updated last year
- Ready-To-Use Pymol Plugin for Docking and Minimization☆12Nov 15, 2025Updated 6 months 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.
- 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
- 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.☆22Apr 28, 2026Updated 3 weeks ago
- ☆16Apr 24, 2025Updated last year