Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks
☆25Aug 28, 2025Updated 9 months ago
Alternatives and similar repositories for MOFFlow
Users that are interested in MOFFlow are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆23Jul 3, 2025Updated 11 months ago
- Gaussain plane-wave neural operator (GPWNO) is a novel approach to predict the electron density of molecule, combining two types of the b…☆28Sep 19, 2024Updated last year
- Coarse-grained Diffusion for Metal-Organic Framework Design☆64Jun 18, 2024Updated 2 years ago
- Deep learning model for predicting adsorption isotherms of MOFs☆16Oct 5, 2022Updated 3 years ago
- Towards Foundation Models for Mixed Integer Linear Programming☆17Feb 3, 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.
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆186Oct 29, 2024Updated last year
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆41Dec 17, 2024Updated last year
- Multi-modal conditioning diffusion model for MOFs generation☆43Nov 19, 2025Updated 7 months ago
- ☆19Jul 1, 2023Updated 2 years ago
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆29Aug 20, 2024Updated last year
- ☆30Nov 12, 2025Updated 7 months ago
- [AAMAS 2025 Oral] CAMP: Collaborative Attention Model with Profiles for Vehicle Routing Problems☆32Dec 3, 2025Updated 6 months ago
- MatInvent: Accelerating inverse materials design using generative diffusion models with reinforcement learning☆49May 28, 2026Updated 3 weeks ago
- The collection of my research papers' illustrations.☆22Oct 15, 2023Updated 2 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- SE(3) Equivariant Flow Matching for Property-Guided Conditional Molecular Generation.☆60Jun 2, 2026Updated 2 weeks ago
- Efficient 3D molecular generation with flow-matching and Semla☆60Jun 3, 2026Updated 2 weeks ago
- Algorithms to analyze and predict molecular structures☆24Jul 4, 2025Updated 11 months ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆172Apr 14, 2025Updated last year
- Code for our paper "Unlocking Guidance for Discrete State-Space Diffusion and Flow Models"☆34Apr 18, 2025Updated last year
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆33Jun 24, 2025Updated 11 months ago
- CrysMMNet: Multimodal Representation for Crystal Property Prediction (UAI-2023)☆21Jun 28, 2024Updated last year
- Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"☆48Apr 30, 2024Updated 2 years ago
- [AAAI 2026] TrajEvo: Designing Trajectory Prediction Heuristics via LLM-driven Evolution☆20Aug 1, 2025Updated 10 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.
- An exact algorithm for the maximum clique problem (MCP) which improves over state-of-the-art approaches in some cases by orders of magnit…☆16Nov 15, 2025Updated 7 months ago
- ☆44Oct 8, 2024Updated last year
- Use time-splits for Materials Project entries for generative modeling benchmarking.☆13Mar 12, 2026Updated 3 months ago
- Permutation-Invariant Autoregressive Diffusion (NeurIPS 2024)☆22Sep 26, 2024Updated last year
- [arXiv 2025] Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey☆48Nov 6, 2025Updated 7 months ago
- A python package designed to communicate among various chemical and materials calculational tools☆15Dec 8, 2025Updated 6 months ago
- ☆19May 8, 2026Updated last month
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆46Jun 14, 2023Updated 3 years ago
- Example scripts using the CSD Python API☆93Jun 5, 2026Updated 2 weeks 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.
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆43Feb 11, 2025Updated last year
- Official repository for the paper "Peptide design through binding interface mimicry with PepMimic" accepted by Nature Biomedical Engineer…☆36Oct 20, 2025Updated 7 months ago
- ☆39Jul 2, 2023Updated 2 years ago
- ☆24Dec 4, 2020Updated 5 years ago
- Uncover meaningful structures of latent spaces learned by generative models with flows!☆46May 10, 2024Updated 2 years ago
- 🚀全流程自己训练一个VLA 「大模型」1小时从0训练26M参数的视觉多模态VLM！🌏 Train a 26M-parameter VLM from scratch in just 1 hours!☆37Oct 16, 2025Updated 8 months ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year