☆18Oct 29, 2025Updated 8 months ago
Alternatives and similar repositories for E2Former
Users that are interested in E2Former are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆30Feb 14, 2025Updated last year
- [NeurIPS 2025 Spotlight] E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products☆29Feb 16, 2026Updated 5 months ago
- A benchmark for Large Atomistic Models☆20Jul 13, 2026Updated last week
- [Nature Communications] The implementation for the paper "An equivariant pretrained transformer for unified 3D molecular representation l…☆15Jun 25, 2026Updated 3 weeks ago
- Data efficient active learning for machine learning potentials☆18Jul 7, 2026Updated 2 weeks ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Building MD simulations for polymer electrolyte system☆14Oct 6, 2025Updated 9 months ago
- Framework to evaluate UMLFFs on experimental data☆15Jul 12, 2026Updated last week
- Benchmarking and validation of Machine Learning Interatomic Potentials (MLIP)☆15Updated this week
- ☆12Mar 31, 2023Updated 3 years ago
- UBio-MolFM is a foundation model suite for molecular modeling, developed by the UBio-MolFM team.☆33Apr 13, 2026Updated 3 months ago
- This is the data file associated with the publication "User-defined Electrostatic Potentials in DFT Supercell Calculations: Implementatio…☆16Apr 16, 2026Updated 3 months ago
- Learning Molecular Dynamics with LAMMPS☆16Jan 15, 2024Updated 2 years ago
- Megalodon☆23Jul 22, 2025Updated 11 months ago
- ☆16Jan 31, 2026Updated 5 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A python interface of NEP☆73Oct 27, 2025Updated 8 months ago
- Collection of Tutorials on Machine Learning Interatomic Potentials☆29Jul 26, 2024Updated last year
- ☆15Apr 9, 2026Updated 3 months ago
- byteff source code☆86Feb 26, 2025Updated last year
- LES extension package for NequIP☆18May 26, 2026Updated last month
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆54Updated this week
- ☆19Nov 3, 2025Updated 8 months ago
- ☆35Jun 29, 2024Updated 2 years ago
- ☆22Mar 30, 2024Updated 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.
- Reinforcement Learning-Guided Polymer Gen- eration for Multi-Objective Gas Membrane Discovery☆16Jun 5, 2026Updated last month
- Official implementation for BioKinema☆21Jun 26, 2026Updated 3 weeks ago
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆44Dec 17, 2025Updated 7 months ago
- Diffusion models for disordered materials☆21Nov 18, 2025Updated 8 months ago
- Supporting code for our paper "Protein Sequence Modelling with Bayesian Flow Networks"☆53Mar 3, 2025Updated last year
- ML potentials via transfer learning☆29Updated this week
- Interactive tutorials for the PIMD Massive Open Online Course☆25Aug 2, 2023Updated 2 years ago
- ☆17Mar 17, 2025Updated last year
- a workflow to do constant potential thermodynamic integration in VASP☆12Dec 19, 2024Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …☆26Apr 17, 2025Updated last year
- Brief tutorial illustrating gprof and AMD uProf☆11Aug 8, 2024Updated last year
- Scoring methods for predicting the DDG upon protein mutation☆17Feb 20, 2023Updated 3 years ago
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆15Jul 15, 2020Updated 6 years ago
- The repository for the generative pretrained model on polymer generation☆20Mar 20, 2026Updated 4 months ago
- Examples from performance tuning workshop☆12Aug 8, 2024Updated last year
- ☆26May 16, 2026Updated 2 months ago