SIEVE-Score: interaction energy-based virtual screening method based on random forest.
☆14Oct 2, 2026Updated last month
Alternatives and similar repositories for SIEVE-Score
Users that are interested in SIEVE-Score are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆49Dec 30, 2018Updated 7 years ago
- ☆11Oct 3, 2026Updated last month
- This repository contains the implementation of a novel machine learning classifier trained on the Dataset of Congruent Inhibitors and Dec…☆22Sep 8, 2020Updated 6 years ago
- ☆30Updated this week
- RF-Score-VS binary☆33Nov 18, 2018Updated 7 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.
- ☆12Jun 14, 2022Updated 4 years ago
- ☆11Oct 3, 2026Updated last month
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- 分子動力学法ステップ・バイ・ステップ☆17Oct 13, 2019Updated 7 years ago
- Code for paper "Human-in-the-Loop Assisted de Novo Molecular Design".☆23Mar 17, 2023Updated 3 years ago
- This reposatory includes all scripts necessary to calculate the GRAil-based DEscriptor (GRADE) and the eXtended GRAil-based DEscriptor (X…☆13May 17, 2026Updated 5 months ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Mar 7, 2025Updated last year
- ☆16Aug 14, 2019Updated 7 years ago
- Python package for virtual screening of generated molecules using autodock-vina and tensorflow☆14Mar 22, 2021Updated 5 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.
- ☆24Jul 27, 2021Updated 5 years ago
- ☆11Oct 28, 2022Updated 4 years ago
- HIPPOS Is PyPLIF On Steroids. A Molecular Interaction Fingerprinting Tool for Docking Results of Autodock Vina and PLANTS☆32Aug 15, 2023Updated 3 years ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆32Dec 2, 2024Updated last year
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Jan 17, 2023Updated 3 years ago
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago
- ☆34Mar 19, 2023Updated 3 years ago
- KDS software for Kinase Drug Selectivity☆10Jun 22, 2026Updated 4 months ago
- ☆15Jul 7, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Python code for generating Boresch restraints from MD simulations☆23Oct 11, 2025Updated last year
- ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery☆33Apr 25, 2025Updated last year
- SE(3)-equivariant point cloud networks for virtual screening☆11Nov 1, 2022Updated 4 years ago
- Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).☆12Jan 13, 2025Updated last year
- ☆12May 3, 2025Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆44Jan 22, 2024Updated 2 years ago
- A generative model for molecular generation via multi-step chemical reactions☆14Jul 24, 2024Updated 2 years ago
- ☆14Jan 11, 2022Updated 4 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆39Dec 27, 2023Updated 2 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Python based scripts for D3R grand challenge 2 analysis☆16Apr 25, 2017Updated 9 years ago
- Molecular inferring project developed by the Discrete Mathematics Lab at Kyoto University.☆10Updated this week
- galaxydock_dl for public☆11Dec 22, 2024Updated last year
- ☆13Jul 14, 2023Updated 3 years ago
- MolDockLab is a data-driven workflow developed to identify the best balanced consensus Structure-Based Virtual Screening (SBVS) workflow …☆14Jul 28, 2026Updated 3 months ago
- ☆24Jun 23, 2021Updated 5 years ago
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
Are these results useful?