☆22Apr 7, 2023Updated 3 years ago
Alternatives and similar repositories for Papyrus-scripts
Users that are interested in Papyrus-scripts are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆29Sep 6, 2026Updated last month
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆52Jan 10, 2024Updated 2 years ago
- PDB-CAT aims to automatically categorize the mmCIF PDB structures based on the type of interaction between atoms in the protein and the l…☆16Updated this week
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago
- ☆18Feb 2, 2026Updated 8 months 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.
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆96Sep 11, 2026Updated 3 weeks ago
- ☆14May 15, 2024Updated 2 years ago
- Experiments for the method comparison paper.☆41Oct 3, 2025Updated last year
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Updated this week
- ☆18Aug 5, 2023Updated 3 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆39Dec 27, 2023Updated 2 years ago
- The Chemical Data Processing Toolkit☆126Updated this week
- ☆90Jan 29, 2022Updated 4 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.
- ☆18Jul 7, 2024Updated 2 years ago
- ☆102Aug 23, 2024Updated 2 years ago
- ☆65Apr 7, 2024Updated 2 years ago
- Kinase-focused fragment library☆69Jun 3, 2026Updated 4 months ago
- Predict allosteric pockets on proteins☆15Mar 28, 2022Updated 4 years ago
- ☆40Feb 20, 2026Updated 7 months ago
- Cheminformatics package from the Miranda-Quintana group to identify activity cliffs in efficent ways☆14Apr 23, 2025Updated last year
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆221Feb 15, 2025Updated last year
- KDS software for Kinase Drug Selectivity☆10Jun 22, 2026Updated 3 months 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.
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Jun 27, 2023Updated 3 years ago
- A Molecular Benchmark for Disease and Target Based Machine Learning☆26Feb 9, 2022Updated 4 years ago
- Curate datasets with ease.☆32Sep 19, 2024Updated 2 years ago
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated last year
- Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…☆37Oct 3, 2022Updated 4 years ago
- Materials from the 2023 RDKit UGM☆34Jan 16, 2024Updated 2 years ago
- ☆30Aug 25, 2023Updated 3 years ago
- rdkit scripts making life easier☆80Sep 23, 2026Updated 2 weeks ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 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.
- An open library to work with pharmacophores.☆53Jul 6, 2023Updated 3 years ago
- Watvina is not all you need for docking, but with torsion, water, pharmacophore, scaffold, post-minimization functions.☆74Aug 6, 2026Updated 2 months ago
- ☆51Oct 8, 2020Updated 6 years ago
- Machine Learning model for molecular micro-pKa prediction☆53Sep 28, 2024Updated 2 years ago
- DockCADD An automated computational framework for molecular docking☆15Mar 31, 2026Updated 6 months ago
- Mol-Opt: a toolbox for molecular design☆25Apr 15, 2024Updated 2 years ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆28Apr 6, 2022Updated 4 years ago