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Merge pull request #209 from hjkgrp/sphinx-fix Pytest #81: Commit 10ecae5 pushed by ralf-meyer
March 23, 2024 19:56 12m 51s master
master
March 23, 2024 19:56 12m 51s
Bump python version for the RTD build Pytest #80: Pull request #209 opened by ralf-meyer
March 23, 2024 19:21 12m 44s sphinx-fix
sphinx-fix
March 23, 2024 19:21 12m 44s
Merge pull request #207 from hjkgrp/mol2D Pytest #79: Commit bc503a1 pushed by ralf-meyer
March 21, 2024 23:18 12m 56s master
master
March 21, 2024 23:18 12m 56s
Mol2D Pytest #78: Pull request #207 synchronize by ralf-meyer
March 21, 2024 22:30 12m 23s mol2D
mol2D
March 21, 2024 22:30 12m 23s
Active learning Pytest #77: Pull request #208 opened by ralf-meyer
March 21, 2024 22:28 12m 43s active_learning
active_learning
March 21, 2024 22:28 12m 43s
Mol2D Pytest #76: Pull request #207 synchronize by ralf-meyer
March 21, 2024 22:24 12m 24s mol2D
mol2D
March 21, 2024 22:24 12m 24s
Merge pull request #205 from hjkgrp/first_shell Pytest #75: Commit c8018c1 pushed by ralf-meyer
March 21, 2024 22:21 12m 44s master
master
March 21, 2024 22:21 12m 44s
added new function to obtain first coordination shell while accountin… Pytest #74: Pull request #205 synchronize by ralf-meyer
March 21, 2024 22:08 12m 35s first_shell
first_shell
March 21, 2024 22:08 12m 35s
added new function to obtain first coordination shell while accountin… Pytest #73: Pull request #205 synchronize by ralf-meyer
March 21, 2024 21:50 11m 52s first_shell
first_shell
March 21, 2024 21:50 11m 52s
added new function to obtain first coordination shell while accountin… Pytest #72: Pull request #205 synchronize by ralf-meyer
March 21, 2024 21:03 12m 5s first_shell
first_shell
March 21, 2024 21:03 12m 5s
Merge pull request #200 from hjkgrp/get_geometry_edits Pytest #71: Commit ecda58b pushed by ralf-meyer
March 21, 2024 20:32 12m 38s master
master
March 21, 2024 20:32 12m 38s
Mol2D Pytest #70: Pull request #207 synchronize by ralf-meyer
March 16, 2024 21:36 12m 51s mol2D
mol2D
March 16, 2024 21:36 12m 51s
Mol2D Pytest #69: Pull request #207 synchronize by ralf-meyer
March 16, 2024 20:53 12m 42s mol2D
mol2D
March 16, 2024 20:53 12m 42s
Mol2D Pytest #68: Pull request #207 synchronize by ralf-meyer
March 16, 2024 17:36 12m 30s mol2D
mol2D
March 16, 2024 17:36 12m 30s
Mol2D Pytest #67: Pull request #207 synchronize by ralf-meyer
March 15, 2024 20:37 12m 2s mol2D
mol2D
March 15, 2024 20:37 12m 2s
Mol2D Pytest #66: Pull request #207 synchronize by ralf-meyer
March 15, 2024 02:00 13m 2s mol2D
mol2D
March 15, 2024 02:00 13m 2s
Mol2D Pytest #65: Pull request #207 synchronize by ralf-meyer
March 14, 2024 20:54 11m 57s mol2D
mol2D
March 14, 2024 20:54 11m 57s
Mol2D Pytest #64: Pull request #207 synchronize by ralf-meyer
March 14, 2024 17:05 12m 54s mol2D
mol2D
March 14, 2024 17:05 12m 54s
Mol2D Pytest #63: Pull request #207 synchronize by ralf-meyer
March 14, 2024 16:20 12m 26s mol2D
mol2D
March 14, 2024 16:20 12m 26s
Mol2D Pytest #62: Pull request #207 opened by ralf-meyer
March 14, 2024 16:04 12m 50s mol2D
mol2D
March 14, 2024 16:04 12m 50s
added new function to obtain first coordination shell while accountin… Pytest #61: Pull request #205 synchronize by iliak14
March 11, 2024 17:01 12m 56s first_shell
first_shell
March 11, 2024 17:01 12m 56s
Merge pull request #206 from hjkgrp/from_smiles Pytest #60: Commit 3b66225 pushed by ralf-meyer
March 7, 2024 18:10 4m 56s master
master
March 7, 2024 18:10 4m 56s
Add option to skip 3D generation in getOBMol() Pytest #59: Pull request #206 opened by ralf-meyer
March 7, 2024 17:55 12m 37s from_smiles
from_smiles
March 7, 2024 17:55 12m 37s
added new function to obtain first coordination shell while accountin… Pytest #58: Pull request #205 synchronize by pre-commit-ci bot
March 6, 2024 19:13 12m 39s first_shell
first_shell
March 6, 2024 19:13 12m 39s
added new function to obtain first coordination shell while accountin… Pytest #57: Pull request #205 opened by iliak14
March 6, 2024 19:12 12m 54s first_shell
first_shell
March 6, 2024 19:12 12m 54s