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atomicarchitects / equiformer_v2

[ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations

Why this job: works in the areas we cover, but does not say which job it does

What it does

This repository contains the official PyTorch implementation of the work "EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations" (ICLR 2024). We provide the code for training the base model setting on the OC20 S2EF-2M and S2EF-All+MD datasets.

Get started

No single install command. Read the steps in the README (opens in new tab)

Maintenance
Inactive
Last commit 7 months ago
Stars
354
On GitHub
Licence
MIT
Allows business use
Downloads for
None listed
No release files
Latest version
None yet
No releases
Built with
Python
100% of the code

Is it looked after?

Contributors
Not stated
Last 90 days
Issues
33% closed
18 still open
Pull requests
0 merged
2 waiting
Releases
None
Never published
  • No contributing guide
  • No security policy
  • No code of conduct

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More: languages, topics and project record

Languages

  • Python 100%
  • Shell <1%

Topics

  • catalyst-design
  • computational-chemistry
  • computational-physics
  • deep-learning
  • drug-discovery
  • equivariant-graph-neural-network
  • equivariant-neural-networks
  • force-fields
  • interatomic-potentials
  • machine-learning
  • molecular-dynamics
  • pytorch

Project record

  • JobOther AI tools
  • StatusListed
  • Commits18
  • Forks50
  • Watching6
  • Stars in 28 days+1
  • CreatedJun 21, 2023
  • First seen by usNov 7, 2026
  • CheckedNov 8, 2026

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