☆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:
- ☆27Jul 22, 2026Updated 2 weeks ago
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆51Jan 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…☆15Jan 21, 2026Updated 6 months ago
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago
- ☆18Feb 2, 2026Updated 6 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- 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.☆93Jun 26, 2026Updated last month
- ☆14May 15, 2024Updated 2 years ago
- Experiments for the method comparison paper.☆40Oct 3, 2025Updated 10 months ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Nov 14, 2024Updated last year
- ☆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☆124Updated this week
- ☆90Jan 29, 2022Updated 4 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.
- ☆17Jul 7, 2024Updated 2 years ago
- ☆102Aug 23, 2024Updated last year
- ☆63Apr 7, 2024Updated 2 years ago
- Kinase-focused fragment library☆69Jun 3, 2026Updated 2 months ago
- Predict allosteric pockets on proteins☆15Mar 28, 2022Updated 4 years ago
- ☆40Feb 20, 2026Updated 5 months ago
- Cheminformatics package from the Miranda-Quintana group to identify activity cliffs in efficent ways☆14Apr 23, 2025Updated last year
- KDS software for Kinase Drug Selectivity☆10Jun 22, 2026Updated last month
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆215Feb 15, 2025Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- 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☆25Feb 9, 2022Updated 4 years ago
- Curate datasets with ease.☆32Sep 19, 2024Updated last year
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated 11 months ago
- Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…☆37Oct 3, 2022Updated 3 years ago
- Materials from the 2023 RDKit UGM☆34Jan 16, 2024Updated 2 years ago
- ☆30Aug 25, 2023Updated 2 years ago
- rdkit scripts making life easier☆80Jun 22, 2026Updated last month
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 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.
- An open library to work with pharmacophores.☆51Jul 6, 2023Updated 3 years ago
- Watvina is not all you need for docking, but with torsion, water, pharmacophore, scaffold, post-minimization functions.☆73Updated this week
- ☆50Oct 8, 2020Updated 5 years ago
- Machine Learning model for molecular micro-pKa prediction☆52Sep 28, 2024Updated last year
- DockCADD An automated computational framework for molecular docking☆15Mar 31, 2026Updated 4 months ago
- Mol-Opt: a toolbox for molecular design☆23Apr 15, 2024Updated 2 years ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆28Apr 6, 2022Updated 4 years ago