Resources for Generalisable Protein Complex Prediction
☆20Oct 16, 2024Updated last year
Alternatives and similar repositories for moving_beyond_memorisation
Users that are interested in moving_beyond_memorisation are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Mol* as anywidget☆55Oct 13, 2025Updated last year
- Unified all-atom structure-conditioned molecule generation☆22Nov 21, 2025Updated 10 months ago
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆158Sep 14, 2026Updated 3 weeks ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆146Sep 7, 2026Updated last month
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Updated this week
- 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.
- Software package for spin dynamics☆15Sep 22, 2026Updated 3 weeks ago
- Genetic-guided GFlowNets for Sample Efficient Molecular Optimization (NeurIPS 2024)☆23Nov 14, 2025Updated 10 months ago
- DataSAIL is a tool to split datasets while reducing information leakage.☆58Sep 30, 2026Updated last week
- DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces☆18May 7, 2025Updated last year
- workflow used to prepare PPB-Affinity database☆34Aug 22, 2024Updated 2 years ago
- A refined evaluation pipeline for 3D molecular generative models trained on GEOM-Drugs.☆16Sep 10, 2025Updated last year
- ☆16Jun 23, 2025Updated last year
- Denoising diffusion probabilistic models for replica exchange☆23Feb 19, 2022Updated 4 years ago
- Protein Ligand INteraction Dataset and Evaluation Resource☆313Updated this week
- 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.
- An IPython/Jupyter widget for interactive molecular visualization, based on Molstar. This is the Jupyter widget version of nano-protein-…☆47Nov 4, 2025Updated 11 months ago
- Efficient 3D molecular generation with flow-matching and Semla☆61Jun 3, 2026Updated 4 months ago
- Compilation of literature examples of generative drug design that demonstrate experimental validation☆59Jul 3, 2025Updated last year
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Feb 29, 2024Updated 2 years ago
- ☆18Jul 7, 2024Updated 2 years ago
- Source code of MOLLEO☆58Sep 5, 2026Updated last month
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 8 months ago
- ☆14Mar 16, 2024Updated 2 years ago
- Repository for "Nearest neighbor search on embeddings rapidly identifies distant protein relations"☆13Apr 2, 2023Updated 3 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.
- Docking Tool Benchmarking Workflow☆25Jul 17, 2024Updated 2 years ago
- Open Drug Discovery Toolkit (ODDT) Notebooks 101☆20Jun 22, 2018Updated 8 years ago
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆29Dec 2, 2025Updated 10 months ago
- ☆26Dec 6, 2025Updated 10 months ago
- Resources for the BioML Challenge 2024: Bits to Binders☆20Aug 24, 2024Updated 2 years ago
- Datasets for P2Rank project. https://github.com/rdk/p2rank☆31Nov 8, 2024Updated last year
- Code accompanying our blog post on a stronger docking baseline for Alpha Fold 3 docking☆23May 14, 2026Updated 4 months ago
- Torsion Angular Bin Strings: Quantifying flexibility by introducing a discrete vector representation of a conformer's dihedral angles to …☆18Updated this week
- Program Package for Sampling, Training and Applying ML-based Potential models☆13Oct 5, 2026Updated last week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- TMol - Rosetta on the GPU☆94Updated this week
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆41Feb 21, 2026Updated 7 months ago
- Automated, modular pipeline for de novo protein binder design on SLURM clusters, with the BFmonitor dashboard☆66Sep 23, 2026Updated 2 weeks ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆61Feb 24, 2026Updated 7 months ago
- RetroCast: A Unified Format for Multistep Retrosynthesis☆29Oct 5, 2026Updated last week
- ☆20Mar 3, 2026Updated 7 months ago
- Fragment-based Molecular Expansion☆28Jan 11, 2024Updated 2 years ago