Commits

Branch selector

 main

User selector

All users

All time

Commit History

Commits on Dec 15, 2025

• Fix/pyproject (#24)

  Show description for 9700ca4
  nmaeder

  authored
  9700ca4

  Copy full SHA for 9700ca4

Commits on Dec 10, 2025

• Add copyright statements (#22)

  Show description for ee08130
  nmaeder

  authored
  ee08130

  Copy full SHA for ee08130

• correctly specify package location (#21)

  Show description for 80c0333
  nmaeder

  authored
  80c0333

  Copy full SHA for 80c0333

Commits on Dec 9, 2025

• Merge pull request #20 from nmaeder/fix/archive-download

  Show description for 5283810
  Cschiebroek

  authored
  5283810

  Copy full SHA for 5283810

Commits on Dec 8, 2025

• update link to dash props data

  nmaeder

  committed
  2a3f571

  Copy full SHA for 2a3f571

Commits on Oct 24, 2025

• Feat/tensor and array from mol (#16)

  Show description for 276bd10
  nmaeder

  authored
  276bd10

  Copy full SHA for 276bd10

Commits on Oct 23, 2025

• Feat/pyproject (#17)

  Show description for 9305247
  nmaeder

  authored
  9305247

  Copy full SHA for 9305247

Commits on Oct 13, 2025

• Add RDKit badge to README status section

  nmaeder

  authored
  c59abee

  Copy full SHA for c59abee

Commits on Jul 25, 2025

• Cleanup/environment files (#15)

  Show description for 29164f6
  nmaeder

  authored
  29164f6

  Copy full SHA for 29164f6

Commits on Feb 24, 2025

• Add DOIs for the published papers (#14)

  Show description for 5fd63d6
  nmaeder

  authored
  5fd63d6

  Copy full SHA for 5fd63d6

Commits on Feb 23, 2025

• Merge pull request #13 from rinikerlab/clean_repo

  Show description for 73b4f1a
  MTLehner

  authored
  73b4f1a

  Copy full SHA for 73b4f1a

• clean up for pep8 style

  MTLehner

  committed
  8f4e1ae

  Copy full SHA for 8f4e1ae

• Merge pull request #12 from fwaibl/main

  Show description for b9fdee1
  MTLehner

  authored
  b9fdee1

  Copy full SHA for b9fdee1

Commits on Jan 27, 2025

• Create add_data_dir if it doesn't exist to fix pip install

  Show description for 1820514
  

  Franz Waibl

  committed
  1820514

  Copy full SHA for 1820514

Commits on Aug 19, 2024

• Update CI.yaml

  MTLehner

  authored
  45ca497

  Copy full SHA for 45ca497

• Update test_env.yaml

  MTLehner

  authored
  9580800

  Copy full SHA for 9580800

• Update test_env.yaml

  MTLehner

  authored
  4874352

  Copy full SHA for 4874352

• Update CI.yaml

  MTLehner

  authored
  60de44f

  Copy full SHA for 60de44f

• Update test_env.yaml

  MTLehner

  authored
  0993027

  Copy full SHA for 0993027

• Update CI.yaml

  MTLehner

  authored
  d9c00d1

  Copy full SHA for d9c00d1

• Update test_env.yaml

  MTLehner

  authored
  035f98d

  Copy full SHA for 035f98d

• Update test_env.yaml

  MTLehner

  authored
  902642c

  Copy full SHA for 902642c

• Update CI.yaml

  MTLehner

  authored
  c106160

  Copy full SHA for c106160

• Update test_env.yaml

  MTLehner

  authored
  9e4e5d1

  Copy full SHA for 9e4e5d1

• Update test_env.yaml

  MTLehner

  authored
  2a8a490

  Copy full SHA for 2a8a490

• Update test_env.yaml

  MTLehner

  authored
  05d88a7

  Copy full SHA for 05d88a7

• Update environment.yml

  MTLehner

  authored
  96c5594

  Copy full SHA for 96c5594

• remove sphinx from test_env.yaml

  MTLehner

  authored
  be2b8b6

  Copy full SHA for be2b8b6

• remove sphinx from min_environment.yml

  MTLehner

  authored
  ff8769e

  Copy full SHA for ff8769e

Commits on Jul 8, 2024

• Merge pull request #11 from rinikerlab/dipole_vec_sup

  Show description for f5e7e51
  MTLehner

  authored
  f5e7e51

  Copy full SHA for f5e7e51

• ignore euler files in pre commit

  MTLehner

  committed
  6a7353d

  Copy full SHA for 6a7353d

• dipole vector support

  MTLehner

  committed
  238ea59

  Copy full SHA for 238ea59

• Merge pull request #10 from rinikerlab/SI_figures

  Show description for 8404fc8
  MTLehner

  authored
  8404fc8

  Copy full SHA for 8404fc8

• benchmark added

  MTLehner

  committed
  4e3f885

  Copy full SHA for 4e3f885

• added euler scripts

  MTLehner

  committed
  881b8bd

  Copy full SHA for 881b8bd