facebookresearch / JMPLinks
Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
☆57Updated 8 months ago
Alternatives and similar repositories for JMP
Users that are interested in JMP are comparing it to the libraries listed below
Sorting:
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆35Updated 3 weeks ago
- G-SchNet extension for SchNetPack☆59Updated 7 months ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆49Updated 2 years ago
- [TMLR 2023] Training and simulating MD with ML force fields☆111Updated 7 months ago
- [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆37Updated 4 months ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆51Updated 3 months ago
- ☆56Updated 6 months ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆120Updated last year
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆52Updated last year
- An object-aware diffusion model for generating chemical reactions☆131Updated last year
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆104Updated last week
- List of Geometric GNNs for 3D atomic systems☆110Updated last year
- Coarse-grained Diffusion for Metal-Organic Framework Design☆42Updated last year
- ☆34Updated 4 months ago
- Text-based modeling of materials.☆32Updated 6 months ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆76Updated 3 years ago
- ☆62Updated last year
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆76Updated last month
- React-OT is a generative transition state search model developed by DeepPrinciple, which uses Optimal Transport (OT) methods to generate …☆18Updated 3 months ago
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆35Updated 6 months ago
- AI for crystal materials☆56Updated 3 weeks ago
- cG-SchNet - a conditional generative neural network for 3d molecular structures