☆112Jun 15, 2026Updated 2 months ago
Alternatives and similar repositories for Drug-The-Whole-Genome
Users that are interested in Drug-The-Whole-Genome are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A hybrid pipeline to screen compounds with DrugCLIP and Schrodinger☆61Jun 2, 2026Updated 2 months ago
- Pocket Detection part of "Drug The Whole Genome" project☆16Feb 3, 2026Updated 6 months ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆247Jan 26, 2026Updated 7 months ago
- Official repository for MolCRAFT series☆160Oct 27, 2025Updated 10 months ago
- pepADMET: a novel computational platform for systematic ADMET evaluation of peptides☆27Oct 21, 2025Updated 10 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- repository for "GPCRact: a hierarchical framework for predicting ligand-induced GPCR activity via allosteric communication modeling"☆24Apr 25, 2026Updated 4 months ago
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…☆502Mar 9, 2026Updated 5 months ago
- Structural optimization of drug molecules by generative deep learning.☆16Apr 9, 2026Updated 4 months ago
- [ICLR 2024] ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment☆23Jun 3, 2024Updated 2 years ago
- ☆47Jul 13, 2025Updated last year
- ☆15Aug 8, 2025Updated last year
- Antibody-Specific Epitope Mapping☆19Sep 10, 2025Updated 11 months ago
- Multi-domain Distribution Learning for De Novo Drug Design☆165Jan 26, 2026Updated 7 months ago
- ☆146Jul 14, 2026Updated last month
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆50Sep 24, 2025Updated 11 months ago
- An accurate and trainable end-to-end protein-ligand docking framework☆149Mar 24, 2025Updated last year
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆84Jul 22, 2026Updated last month
- Toward High-Accuracy Open-Source Biomolecular Structure Prediction.☆2,041Aug 1, 2026Updated 3 weeks ago
- Structure-aware PRotein ligand INTeraction (SPRINT) is a ultrafast deep learning framework for drug-target interaction prediction.☆21Feb 19, 2026Updated 6 months ago
- Uni-FEP-Benchmarks is a benchmark dataset designed to systematically evaluate Uni-FEP.☆58Updated this week
- Protein Language Modeling beyond static folds reveals sequence-encoded flexibility☆37Feb 1, 2026Updated 6 months ago
- ☆23Jul 6, 2026Updated last month
- Uni-Dock: a GPU-accelerated molecular docking program☆307Jul 20, 2026Updated last month
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- ☆22Jan 23, 2026Updated 7 months ago
- ☆17Jul 27, 2026Updated last month
- Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)☆246Aug 10, 2026Updated 3 weeks ago
- ☆34Dec 20, 2024Updated last year
- Out-of-the-box automated machine learning for (Q)SAR models, predicting properties from chemical structures.☆45Jul 7, 2026Updated last month
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆255Sep 29, 2025Updated 11 months ago
- Official repository for the Boltz biomolecular interaction models☆4,186May 29, 2026Updated 3 months ago
- ☆14Jan 30, 2025Updated last year
- Repository for the paper A generative artificial intelligence approach for antibiotic optimization☆21Mar 26, 2026Updated 5 months 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.
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆14Feb 11, 2026Updated 6 months ago
- Plausibility checks for generated molecule poses.☆401Mar 7, 2026Updated 5 months ago
- ☆10Jun 28, 2025Updated last year
- AIDA phase 1 splicing QTL paper☆16Feb 17, 2026Updated 6 months ago
- A Euclidean diffusion model for structure-based drug design.☆528Jun 25, 2025Updated last year
- KERMT is a pretrained graph neural network model for molecular property prediction.☆96Updated this week
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆138Jan 28, 2026Updated 7 months ago