pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-06 22:39:55 +08:00
Code Issues Packages Projects Releases Wiki Activity
Files
052d48e34ef6d05f730f75e6accf9093e5313cd8
rdkit/Code/GraphMol/Wrap/test_data
History
Ric 880a8e5725 Reformat Python code for 2023.03 release (#6294) 
* run yapf

* run isort

---------

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
2023-04-28 06:53:56 +02:00
..
bond_types.cdxml
Unset executable flag
2019-10-10 20:18:43 +09:00
bond-query2.mol
Unset executable flag
2019-10-10 20:18:43 +09:00
bond-query3.mol
Unset executable flag
2019-10-10 20:18:43 +09:00
bond-query4.mol
Unset executable flag
2019-10-10 20:18:43 +09:00
bond-query.cdxml
Unset executable flag
2019-10-10 20:18:43 +09:00
bond-query.mol
Unset executable flag
2019-10-10 20:18:43 +09:00
chain1.cdxml
Unset executable flag
2019-10-10 20:18:43 +09:00
chain2.cdxml
Unset executable flag
2019-10-10 20:18:43 +09:00
chain3.cdxml
cdxml parser (#5273)
2022-09-28 05:49:27 +02:00
chain4.cdxml
Unset executable flag
2019-10-10 20:18:43 +09:00
do_smiles.bomb.py
Reformat Python code for 2023.03 release (#6294)
2023-04-28 06:53:56 +02:00
do_smiles.py
Reformat Python code for 2023.03 release (#6294)
2023-04-28 06:53:56 +02:00
easy_smiles.txt
Unset executable flag
2019-10-10 20:18:43 +09:00
github3553.sdf
Fixes #3553 (#3554)
2020-11-09 08:06:14 -05:00
issue2082.mol
Fix 2D/3D interpretation of V2000 ctabs (#2083)
2018-10-03 21:05:33 +02:00
issue2983794.sdf
fix sf.net issue 2983794
2010-04-08 13:39:40 +00:00
list-query.cdxml
Unset executable flag
2019-10-10 20:18:43 +09:00
list-query.mol
Unset executable flag
2019-10-10 20:18:43 +09:00
mol1.mol
Unset executable flag
2019-10-10 20:18:43 +09:00
ntp_smiles.txt
Unset executable flag
2019-10-10 20:18:43 +09:00
query2.mol
Unset executable flag
2019-10-10 20:18:43 +09:00
query.cdxml
Unset executable flag
2019-10-10 20:18:43 +09:00
ring1.cdxml
Unset executable flag
2019-10-10 20:18:43 +09:00
ring2.cdxml
Unset executable flag
2019-10-10 20:18:43 +09:00
ring3.cdxml
Unset executable flag
2019-10-10 20:18:43 +09:00
rtecs_smiles.5000.txt
Unset executable flag
2019-10-10 20:18:43 +09:00
rtecs_smiles.txt
Unset executable flag
2019-10-10 20:18:43 +09:00