AssayBench: An Assay-Level Virtual Cell Benchmark for LLMs and Agents
☆16Sep 30, 2026Updated 3 weeks ago
Alternatives and similar repositories for AssayBench
Users that are interested in AssayBench are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆32Updated this week
- ☆18Jul 30, 2024Updated 2 years ago
- ☆10Mar 27, 2025Updated last year
- An introduction to small molecule drug design with practicals☆15Sep 10, 2026Updated last month
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆21Oct 8, 2026Updated 2 weeks 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.
- ☆13Jul 14, 2025Updated last year
- ☆12Jul 2, 2024Updated 2 years ago
- ☆12Jan 28, 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…☆16Oct 6, 2026Updated 2 weeks ago
- A python library for prediction of drug metabolites☆23Mar 19, 2018Updated 8 years ago
- TarPass, a benchmark for target-aware de novo molecular generation.☆16Sep 23, 2026Updated 3 weeks ago
- ☆15Apr 4, 2025Updated last year
- ☆14May 15, 2024Updated 2 years ago
- ☆18Apr 17, 2025Updated last year
- 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.
- ☆18Aug 5, 2023Updated 3 years ago
- A GNN model for the prediction of SOMs in small organic molecules.☆14Aug 25, 2026Updated last month
- ☆11Jun 7, 2024Updated 2 years ago
- This repository contains all the course materials that are used in the "Chemo-informatics and computational drug design" course teaches a…☆11Oct 3, 2026Updated 2 weeks ago
- Paper for release☆11Sep 24, 2021Updated 5 years ago
- ☆31Jun 30, 2026Updated 3 months ago
- NISPO: Nomenclature Inference for Structures, Powered by OPSIN☆21Aug 23, 2026Updated last month
- ☆32Aug 17, 2026Updated 2 months ago
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- 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.
- Energy minimization post-processing used in PoseBusters☆14Apr 4, 2025Updated last year
- Efficient Sampling of PROTAC-Induced Ternary Complexes☆20Jun 3, 2025Updated last year
- Mol-JEPA multimodal molecular foundation model☆29Oct 14, 2026Updated last week
- A collection of cheminformatics utility functions for use with marimo notebooks☆25Aug 21, 2026Updated 2 months ago
- Code used to mine surfaces.☆37Feb 23, 2025Updated last year
- Official repository for the review article "Modeling protein–ligand interactions for drug discovery in the era of deep learning."☆61Jun 23, 2026Updated 3 months ago
- ☆17Dec 25, 2025Updated 9 months ago
- Official repository for discrete Walk-Jump Sampling (dWJS)☆59Dec 17, 2023Updated 2 years ago
- A Self-feedback Knowledge Elicitation Approach for Chemical Reaction Predictions☆11Aug 15, 2025Updated last year
- 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.
- Space- and time-optimal algorithms for large single-cell expression matrices, with a focus on single-cell CRISPR screens.☆12Jul 31, 2026Updated 2 months ago
- A unified framework for making structural biology tools interoperable.☆117Updated this week
- 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
- ☆18Feb 13, 2023Updated 3 years ago
- Organ Bath Pharmacology Simulation☆10Dec 16, 2024Updated last year
- A concise and easy-to-customize reimplementation of "ChemProp" (Yang et al, 2019) in PyTorch Geometric.☆26Jun 23, 2022Updated 4 years ago
- Scripts to calculate fingerprints and simiilarity matrices for natural product databases.☆25Apr 3, 2024Updated 2 years ago