From Theory to Therapy: Reframing SBDD Model Evaluation via Practical Metrics
☆10Jun 13, 2024Updated 2 years ago
Alternatives and similar repositories for sbdd_practical_evaluation
Users that are interested in sbdd_practical_evaluation 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 template for deep learning projects.☆16May 7, 2025Updated last year
- SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction☆17Feb 17, 2025Updated last year
- Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation☆39Jun 11, 2023Updated 3 years ago
- Open Source Deep Docking protocol (optimized)☆12Mar 19, 2026Updated 7 months ago
- Official repository for MolCRAFT series☆160Oct 27, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A curated list of papers and resources on Structure-Based Drug Design (SBDD)☆12Jun 24, 2024Updated 2 years ago
- A refined evaluation pipeline for 3D molecular generative models trained on GEOM-Drugs.☆16Sep 10, 2025Updated last year
- Pocket Detection part of "Drug The Whole Genome" project☆17Feb 3, 2026Updated 8 months ago
- ☆16Nov 4, 2024Updated last year
- Official implementation of SketchMol.☆35Feb 14, 2025Updated last year
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆46Apr 2, 2025Updated last year
- Semi-supervised Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation. (AAAI 23…☆12Jan 14, 2023Updated 3 years ago
- Simple Scalable Discrete Diffusion for text in PyTorch☆37Sep 27, 2024Updated 2 years ago
- ☆27Sep 14, 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.
- Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models☆47Jul 20, 2026Updated 3 months ago
- ☆12Nov 30, 2023Updated 2 years ago
- A universal structure-directed lead optimization☆80Jan 30, 2026Updated 9 months ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆63Sep 6, 2024Updated 2 years ago
- Project Page of ShortListing Model☆12Sep 30, 2025Updated last year
- Protein representation and design under a single training scheme☆25May 17, 2026Updated 5 months ago
- ☆25May 23, 2023Updated 3 years ago
- This is the official implementation of the paper: Fractional Denoising for 3D Molecular Pre-training☆22Mar 30, 2024Updated 2 years ago
- Biological reasoning agents☆11Apr 3, 2024Updated 2 years ago
- 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.
- ☆79Nov 7, 2025Updated 11 months ago
- Processing the DisGeNET database of disease–gene association☆26Mar 26, 2016Updated 10 years ago
- ☆23Nov 13, 2025Updated 11 months ago
- ☆15Oct 25, 2025Updated last year
- ☆15Nov 27, 2025Updated 11 months ago
- [ICLR 2024] ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment☆24Jun 3, 2024Updated 2 years ago
- OpenComplex2 (OC2) is a generative foundation model that bridges static structure prediction and dynamic ensemble modeling of biomolecula…☆14Dec 24, 2025Updated 10 months ago
- ☆13Feb 21, 2021Updated 5 years ago
- A custom feed for latest machine learning papers on bluesky☆11Jul 25, 2026Updated 3 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.
- This is the official code for MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs☆46Aug 28, 2025Updated last year
- MCP servers for Protein Data Bank, ChemBL, and other life science data (WIP), with Ollama client for local testing.☆12Mar 23, 2025Updated last year
- ☆14May 12, 2025Updated last year
- Structure-based drug design based on Retrieval Augmented Generation☆29Nov 7, 2025Updated 11 months ago
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆42Feb 21, 2026Updated 8 months ago
- This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)☆53Sep 14, 2023Updated 3 years ago
- Synthesis-oriented molecular design "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆41Oct 14, 2026Updated 2 weeks ago