☆18Oct 29, 2025Updated 9 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☆30Feb 16, 2026Updated 5 months ago
- A benchmark for Large Atomistic Models☆20Aug 3, 2026Updated last week
- [Nature Communications] The implementation for the paper "An equivariant pretrained transformer for unified 3D molecular representation l…☆16Jun 25, 2026Updated last month
- Building MD simulations for polymer electrolyte system☆14Oct 6, 2025Updated 10 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Data efficient active learning for machine learning potentials☆19Jul 31, 2026Updated last week
- Framework to evaluate UMLFFs on experimental data☆15Jul 25, 2026Updated 2 weeks ago
- Benchmarking and validation of Machine Learning Interatomic Potentials (MLIP)☆15Updated this week
- ☆12Mar 31, 2023Updated 3 years 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
- UBio-MolFM is a foundation model suite for molecular modeling, developed by the UBio-MolFM team.☆33Apr 13, 2026Updated 3 months ago
- A Python library for prediction of polymeric material properties.☆25May 6, 2022Updated 4 years ago
- Learning Molecular Dynamics with LAMMPS☆16Jan 15, 2024Updated 2 years ago
- ☆15Feb 18, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Megalodon☆24Jul 22, 2025Updated last year
- ☆16Jan 31, 2026Updated 6 months ago
- A python interface of NEP☆73Oct 27, 2025Updated 9 months ago
- byteff source code☆87Feb 26, 2025Updated last year
- ☆15Jul 21, 2026Updated 2 weeks ago
- Collection of Tutorials on Machine Learning Interatomic Potentials☆29Jul 26, 2024Updated 2 years ago
- A command line and python toolkit featured artificial intelligence × ab initio for complex chemistry systems research.☆97Jul 30, 2026Updated last week
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆54Updated this week
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆36Sep 3, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A Python library for constructing polymer topologies and coordinates☆22Sep 23, 2025Updated 10 months ago
- LES extension package for NequIP☆18Updated this week
- ☆20Nov 3, 2025Updated 9 months ago
- ☆35Jun 29, 2024Updated 2 years ago
- Official implementation for BioKinema☆26Jun 26, 2026Updated last month
- Reinforcement Learning-Guided Polymer Gen- eration for Multi-Objective Gas Membrane Discovery☆16Jun 5, 2026Updated 2 months ago
- ☆22Mar 30, 2024Updated 2 years 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
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Supporting code for our paper "Protein Sequence Modelling with Bayesian Flow Networks"☆53Mar 3, 2025Updated last year
- Interactive tutorials for the PIMD Massive Open Online Course☆25Aug 2, 2023Updated 3 years ago
- ML potentials via transfer learning☆30Jul 28, 2026Updated last week
- ☆17Mar 17, 2025Updated last year
- [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …☆27Apr 17, 2025Updated last year
- a workflow to do constant potential thermodynamic integration in VASP☆12Dec 19, 2024Updated last year
- Brief tutorial illustrating gprof and AMD uProf☆11Aug 8, 2024Updated 2 years ago