This repository was archived by the owner on Apr 11, 2026. It is now read-only.

All issues

Installation Instructions in Readme out of date

#55

· rossfu7 opened

on Mar 13, 2026

Fine-tuning AIMNet2 on my own dataset

#54

· MasterLucas opened

on Sep 16, 2025

Ewald sumation for electrostatic ?

#53

· husakm opened

on Jun 30, 2025

AIMNet2ASECalculator Fails on Multiple Geometries Due to Shape Mismatch

#51

· IliasChair opened

on Feb 21, 2025

Which is the correct model zoo?

#50

· IliasChair opened

on Feb 21, 2025

Which aimnet2calc to use

#48

· thorben-frank opened

on Jan 23, 2025

AIMNet2 Fails On Adamantane

#47

· corinwagen opened

on Nov 27, 2024

`TypeError: _nblist_pbc_cpu() missing 1 required positional argument: 'device'`

#46

· corinwagen opened

on Nov 26, 2024

PBC with multiple molecules

#45

· chuhong-wang opened

on Nov 21, 2024

AIMNet2ASE returns the energy as a numpy.array

#44

· kangmg opened

on Nov 19, 2024

Installation commands in the README point to another repository

#41

· Honza-R opened

on Sep 25, 2024

Installation of the new AIMNet2 fails

#40

· Honza-R opened

on Sep 24, 2024