pyKVFinder: Python-C parallel KVFinder
☆36Apr 10, 2026Updated this week
Alternatives and similar repositories for pyKVFinder
Users that are interested in pyKVFinder are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- parKVFinder: thread-level parallel KVFinder☆15May 9, 2025Updated 11 months ago
- Workshops on Computational Biology organized by our lab☆10Mar 25, 2024Updated 2 years ago
- A lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"☆38Oct 30, 2023Updated 2 years ago
- ☆10Apr 30, 2025Updated 11 months ago
- Ligand binding site prediction and virtual screening☆12Oct 26, 2018Updated 7 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Paper for release☆11Sep 24, 2021Updated 4 years ago
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆14Mar 22, 2023Updated 3 years ago
- A Rust implementation of the LightDock macromolecular docking software☆30Apr 19, 2024Updated last year
- parKVFinder-win: thread-level parallel KVFinder for Windows☆10Sep 12, 2024Updated last year
- Protein-Protein Docking using Genetic Algorithm☆20Mar 9, 2026Updated last month
- Cloud-based Drug Binding Structure Prediction☆46Feb 9, 2026Updated 2 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Jan 22, 2026Updated 2 months ago
- De novo design of small molecule binding sites into proteins☆12Apr 14, 2021Updated 5 years ago
- These are the famous Uppsala Software Factory programs, rescued into GitHub.☆10Nov 3, 2022Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆28Apr 6, 2022Updated 4 years ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆15Nov 8, 2020Updated 5 years ago
- Script to facilitate the making of horizontal scripts☆18May 25, 2024Updated last year
- Imagining what a user-extensible iterator protocol for R might look like.☆21Mar 8, 2022Updated 4 years ago
- R package for simulation of caffeine concentration <doi:10.12793/tcp.2017.25.3.141>. https://asancpt.github.io/caffsim☆10Aug 26, 2020Updated 5 years ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- volume calculation and segmentation☆38May 20, 2024Updated last year
- EvoEF + evolutionary profile for ddG_bind prediction☆14Oct 17, 2025Updated 5 months ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 2 years 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.
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Oct 2, 2024Updated last year
- Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina☆23Apr 20, 2020Updated 5 years ago
- The code for the QuickVina homepage.☆36Nov 7, 2022Updated 3 years ago
- Clusters protein chains based on CA distance difference☆16Mar 18, 2026Updated 3 weeks ago
- PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms☆57Mar 9, 2023Updated 3 years ago
- A high performance drop-in replacement for Biotite's PDBFile.☆42May 27, 2025Updated 10 months ago
- My multi-system flake configuration☆12Apr 8, 2026Updated last week
- A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.☆106Feb 25, 2021Updated 5 years ago
- ☆19Jun 27, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A scoring function model based on 3D convolutional neural network for protein-ligand binding affinity prediction.☆17Oct 8, 2021Updated 4 years ago
- Robust and stable clustering of molecular dynamics simulation trajectories.☆19Sep 2, 2022Updated 3 years ago
- A toolkit for enzyme discovery☆25Mar 3, 2026Updated last month
- Building and analyzing residue interaction networks with cofactors (includes tutorial).☆19Mar 31, 2021Updated 5 years ago
- Open source library to work with molecular systems☆13Apr 7, 2026Updated last week
- The official GitHub repository for the Nature Communications paper "Computational Design of Generalist Cyclopropanases with Stereodiverge…☆13Jan 23, 2026Updated 2 months ago
- Cryptic pocket prediction using AlphaFold 2☆25Nov 27, 2022Updated 3 years ago