NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
☆42Apr 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:
- TAGMol: Target-Aware Gradient-guided Molecule Generation (ICML'24 ML4LMS Workshop)☆13Aug 29, 2024Updated last year
- ☆18Dec 16, 2024Updated last year
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆56Sep 6, 2024Updated last year
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆14Mar 14, 2024Updated 2 years ago
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆59Jun 4, 2024Updated last year
- 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.
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆18Jan 2, 2026Updated 3 months ago
- ☆16Jun 24, 2024Updated last year
- f-PO: Generalizing Preference Optimization with f-divergence Minimization☆14Apr 2, 2025Updated last year
- Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)☆75Feb 24, 2025Updated last year
- 👌[ICLR 2025] TFG-Flow: Training-free Guidance in Multimodal Generative Flow☆19Mar 4, 2025Updated last year
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆330Jan 10, 2024Updated 2 years ago
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆71Jul 27, 2023Updated 2 years ago
- Official repository for MolCRAFT series☆150Oct 27, 2025Updated 5 months ago
- Source code of MOLLEO☆55Jul 8, 2025Updated 9 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆51Jul 17, 2023Updated 2 years ago
- ☆10Jun 10, 2024Updated last year
- ☆14Mar 6, 2024Updated 2 years ago
- ☆42Mar 26, 2025Updated last year
- ☆12Jan 25, 2026Updated 2 months ago
- Awesome list about AI4Polymer☆18Sep 23, 2025Updated 6 months ago
- Contributed and additional nodes for maize☆21Feb 18, 2026Updated last month
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆38Jan 23, 2024Updated 2 years ago
- Token-Mol 1.0：tokenized drug design with large language model☆61Dec 9, 2025Updated 4 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆103May 25, 2025Updated 10 months ago
- Geometric Latent Diffusion Models for 3D Molecule Generation☆275Jun 9, 2023Updated 2 years ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆190Mar 22, 2026Updated 3 weeks ago
- ☆17Oct 26, 2024Updated last year
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆43Jul 4, 2025Updated 9 months ago
- [NeurIPS 2024] Physics-Informed Regularization for Domain-Agnostic Dynamical System Modeling☆26Jul 10, 2025Updated 9 months ago
- Code for our paper "Towards Principled Graph Transformers"☆13Oct 30, 2024Updated last year
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆36Sep 6, 2024Updated last year
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆30Dec 3, 2025Updated 4 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.
- ☆86Mar 21, 2026Updated 3 weeks ago
- Code for InstructBioMol, implementing the Nature Machine Intelligence paper "Advancing Biomolecular Understanding and Design Following Hu…☆30Aug 2, 2025Updated 8 months ago
- 3D_Molecular_Generation☆109Nov 23, 2024Updated last year
- Generative modeling of molecular dynamics trajectories☆207Mar 22, 2026Updated 2 weeks ago
- the code of MoG☆20Aug 6, 2024Updated last year
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆130Jun 9, 2023Updated 2 years ago
- Automated reaction discovery and dataset generation with the growing string method☆22Feb 6, 2020Updated 6 years ago