Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks
☆22Aug 28, 2025Updated 6 months ago
Alternatives and similar repositories for MOFFlow
Users that are interested in MOFFlow are comparing it to the libraries listed below
Sorting:
- ☆22Jul 3, 2025Updated 8 months ago
- Coarse-grained Diffusion for Metal-Organic Framework Design☆61Jun 18, 2024Updated last year
- Towards Foundation Models for Mixed Integer Linear Programming☆15Feb 3, 2025Updated last year
- Deep learning model for predicting adsorption isotherms of MOFs☆16Oct 5, 2022Updated 3 years ago
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆39Dec 17, 2024Updated last year
- MatInvent: Accelerating inverse materials design using generative diffusion models with reinforcement learning☆42Feb 25, 2026Updated last week
- ☆19Jul 1, 2023Updated 2 years ago
- CrysMMNet: Multimodal Representation for Crystal Property Prediction (UAI-2023)☆20Jun 28, 2024Updated last year
- [AAMAS 2025 Oral] CAMP: Collaborative Attention Model with Profiles for Vehicle Routing Problems☆30Dec 3, 2025Updated 3 months ago
- Permutation-Invariant Autoregressive Diffusion (NeurIPS 2024)☆22Sep 26, 2024Updated last year
- The collection of my research papers' illustrations.☆19Oct 15, 2023Updated 2 years ago
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆28Aug 20, 2024Updated last year
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆154Apr 14, 2025Updated 10 months ago
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆176Oct 29, 2024Updated last year
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆30Jun 24, 2025Updated 8 months ago
- Code for our paper "Unlocking Guidance for Discrete State-Space Diffusion and Flow Models"☆33Apr 18, 2025Updated 10 months ago
- A python package designed to communicate among various chemical and materials calculational tools☆15Dec 8, 2025Updated 3 months ago
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆24Feb 14, 2025Updated last year
- Towards Adaptive ML Benchmarks: Web-Agent-Driven Construction, Domain Expansion, and Metric Optimization☆20Sep 12, 2025Updated 5 months ago
- [arXiv 2025] Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey☆44Nov 6, 2025Updated 4 months ago
- [AAAI 2026] Benchmarking Language Model Agents in Algorithm Search for Combinatorial Optimization☆37Aug 10, 2025Updated 6 months ago
- Flow matching for accelerated simulation of atomic transport☆63Oct 17, 2025Updated 4 months ago
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆14Jul 15, 2020Updated 5 years ago
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆41Feb 11, 2025Updated last year
- ☆39Jul 2, 2023Updated 2 years ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- Neural Destruction Search for Vehicle Routing Problems☆18Oct 6, 2025Updated 5 months ago
- MXNet/Gluon implementation of the original (Gaussian) Variational Autoencoders (VAE)☆10Dec 22, 2017Updated 8 years ago
- Visualize interactively phonon dispersions and their eigenvectors☆14Feb 7, 2025Updated last year
- 🚀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!☆27Oct 16, 2025Updated 4 months ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆44Jun 14, 2023Updated 2 years ago
- Artificial Intelligence Research for Science (AIRS)☆734Mar 2, 2026Updated last week
- Uncover meaningful structures of latent spaces learned by generative models with flows!☆43May 10, 2024Updated last year
- BS-Mamba for Black-Soil Area Detection on the Qinghai-Tibetan Plateau☆11Apr 12, 2025Updated 10 months ago
- [AAAI 2026] TrajEvo: Designing Trajectory Prediction Heuristics via LLM-driven Evolution☆14Aug 1, 2025Updated 7 months ago
- Inverse Kinematics for MANO hands☆18Feb 23, 2022Updated 4 years ago
- Code for SIGKDD2025 paper: An Efficient Diffusion-based Non-Autoregressive Solver for Traveling Salesman Problem☆14Jan 28, 2025Updated last year