few-shot compound activity regression
☆12Aug 19, 2024Updated last year
Alternatives and similar repositories for FS-CAP
Users that are interested in FS-CAP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆31Mar 14, 2026Updated 4 months ago
- ☆26Jul 14, 2024Updated 2 years ago
- ☆12Oct 9, 2024Updated last year
- pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)☆11Mar 25, 2024Updated 2 years ago
- ☆13Jul 5, 2024Updated 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.
- ☆17Jan 5, 2024Updated 2 years ago
- ☆14Nov 5, 2024Updated last year
- ☆13Apr 8, 2025Updated last year
- MolModa provides a secure, accessible environment where users can perform molecular docking entirely in their web browsers.☆21Jul 11, 2026Updated last week
- ☆42Mar 26, 2025Updated last year
- WaterDock-2.0 implementation with Akshay Sridhar☆21Nov 2, 2023Updated 2 years ago
- Repository containing pipelines developed for the SNAC-DB (Structural NANOBODY® VHH and Antibody Complex Database). SNAC-DB is ML-ready c…☆32Jun 8, 2026Updated last month
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆14Feb 11, 2026Updated 5 months ago
- CPSign - an open source modeling software made for QSAR, written in Java☆15Aug 17, 2024Updated last year
- 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.
- Pocket dynamics analysis tool☆18Apr 24, 2026Updated 2 months ago
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Aug 18, 2024Updated last year
- 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
- 3D molecular fingerprints (E3FP) paper repo☆15Mar 14, 2021Updated 5 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆72Jul 20, 2025Updated last year
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated last year
- Fully automated docking pipeline (can be run in distributed environments)☆77Jun 17, 2026Updated last month
- Meta learning addresses noisy and under-labeled data in machine learning-guided antibody engineering (https://doi.org/10.1016/j.cels.2023…☆23Aug 8, 2024Updated last year
- AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps☆21Oct 26, 2025Updated 8 months 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.
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson.☆19Jun 26, 2026Updated 3 weeks ago
- ☆23Mar 8, 2024Updated 2 years ago
- Small_molecule_binder_design_use_pseudocycles☆26Nov 19, 2024Updated last year
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆31Jun 3, 2024Updated 2 years ago
- ☆15May 29, 2024Updated 2 years ago
- GCN implementation for RNA-small molecule binding prediction. (https://academic.oup.com/nar/article/48/14/7690/5870337)☆16Nov 28, 2023Updated 2 years ago
- ☆21May 28, 2025Updated last year
- 2D portraits of 3D protein structures☆27May 14, 2026Updated 2 months ago
- EvolveX, a de novo antibody computational design pipeline.☆24Sep 18, 2025Updated 10 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Sparse Neural Network Tools☆12Jul 15, 2024Updated 2 years ago
- ☆66Nov 28, 2023Updated 2 years ago
- Target prediction☆14May 8, 2020Updated 6 years ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Oct 2, 2024Updated last year
- ☆17Jun 16, 2022Updated 4 years ago
- ☆16Oct 27, 2024Updated last year
- Predicting protein-ligand binding sites using deep convolutional neural network☆52Sep 23, 2024Updated last year