Issues

• Installation Instructions in Readme out of date

  isayevlab/AIMNet2#55 · Filter by author rossfu7 opened on Mar 13, 2026

• Fine-tuning AIMNet2 on my own dataset

  isayevlab/AIMNet2#54 · Filter by author MasterLucas opened on Sep 16, 2025

• Ewald sumation for electrostatic ?

  isayevlab/AIMNet2#53 · Filter by author husakm opened on Jun 30, 2025

• AIMNet2ASECalculator Fails on Multiple Geometries Due to Shape Mismatch

  isayevlab/AIMNet2#51 · Filter by author IliasChair opened on Feb 21, 2025
  1

• Which is the correct model zoo?

  isayevlab/AIMNet2#50 · Filter by author IliasChair opened on Feb 21, 2025

• Which aimnet2calc to use

  isayevlab/AIMNet2#48 · Filter by author thorben-frank opened on Jan 23, 2025

• AIMNet2 Fails On Adamantane

  isayevlab/AIMNet2#47 · Filter by author corinwagen opened on Nov 27, 2024
  4

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

  isayevlab/AIMNet2#46 · Filter by author corinwagen opened on Nov 26, 2024

• PBC with multiple molecules

  isayevlab/AIMNet2#45 · Filter by author chuhong-wang opened on Nov 21, 2024

• AIMNet2ASE returns the energy as a numpy.array

  isayevlab/AIMNet2#44 · Filter by author kangmg opened on Nov 19, 2024
  1

• Installation commands in the README point to another repository

  isayevlab/AIMNet2#41 · Filter by author Honza-R opened on Sep 25, 2024

• Installation of the new AIMNet2 fails

  isayevlab/AIMNet2#40 · Filter by author Honza-R opened on Sep 24, 2024
  1

• Conda package

  isayevlab/AIMNet2#13 · Filter by author jthorton opened on Dec 4, 2023
  6