NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
☆43Apr 2, 2025Updated last year
Alternatives and similar repositories for AliDiff
Users that are interested in AliDiff are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆19Dec 16, 2024Updated last year
- TAGMol: Target-Aware Gradient-guided Molecule Generation (ICML'24 ML4LMS Workshop)☆15Aug 29, 2024Updated last year
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆61Sep 6, 2024Updated last year
- [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".☆39Jul 22, 2025Updated 11 months ago
- ☆17Jun 24, 2024Updated 2 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆59Jun 4, 2024Updated 2 years ago
- Official repository for MolCRAFT series☆157Oct 27, 2025Updated 8 months ago
- ☆22Jul 6, 2026Updated 2 weeks ago
- A refined evaluation pipeline for 3D molecular generative models trained on GEOM-Drugs.☆16Sep 10, 2025Updated 10 months ago
- This is the official repository for our paper "UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules" published in ICML…☆18Apr 14, 2026Updated 3 months ago
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆344Jan 10, 2024Updated 2 years ago
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆73Jul 27, 2023Updated 2 years ago
- f-PO: Generalizing Preference Optimization with f-divergence Minimization☆14Apr 2, 2025Updated last year
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆20Jan 2, 2026Updated 6 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 "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆16Mar 14, 2024Updated 2 years ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆51Jul 17, 2023Updated 3 years ago
- ☆10Jun 10, 2024Updated 2 years ago
- Source code of MOLLEO☆57Jul 8, 2025Updated last year
- ☆15Mar 6, 2024Updated 2 years ago
- ☆42Mar 26, 2025Updated last year
- ☆13Jan 25, 2026Updated 5 months ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆38Jan 23, 2024Updated 2 years ago
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆109May 25, 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.
- Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)☆85May 27, 2026Updated last month
- Geometric Latent Diffusion Models for 3D Molecule Generation☆276Jun 9, 2023Updated 3 years ago
- ☆19Oct 26, 2024Updated last year
- [TMLR 24'] TacoGFN: Target Conditioned GFlowNet for Structure-based Drug Design☆21May 31, 2026Updated last month
- 👌[ICLR 2025] TFG-Flow: Training-free Guidance in Multimodal Generative Flow☆20Mar 4, 2025Updated last year
- Official implementation for LigUnity: Hierarchical affinity landscape navigation through learning a shared pocket-ligand space.☆62Mar 30, 2026Updated 3 months ago
- Code for our paper "Towards Principled Graph Transformers"☆13Oct 30, 2024Updated last year
- [NeurIPS 2024] Physics-Informed Regularization for Domain-Agnostic Dynamical System Modeling☆28Jul 10, 2025Updated last year
- ☆15Aug 8, 2025Updated 11 months ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Code for InstructBioMol, implementing the Nature Machine Intelligence paper "Advancing Biomolecular Understanding and Design Following Hu…☆31Aug 2, 2025Updated 11 months ago
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆39Sep 6, 2024Updated last year
- [ICLR 2025] Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension☆21May 5, 2025Updated last year
- the code of MoG☆22Aug 6, 2024Updated last year
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆44May 30, 2024Updated 2 years ago
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆74Mar 5, 2026Updated 4 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆238Mar 22, 2026Updated 4 months ago