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pma
chemo_sanitizer
Commits
chemo_sanitizer
03 Nov, 2020
1 commit
updating stereocounter to remove uncalculated romol objects
· 1d9e1741
pma
authored
Nov 03, 2020
1d9e1741
02 Nov, 2020
2 commits
updating readme
· de362a81
pma
authored
Nov 02, 2020
de362a81
updating the mess
· 2ebeb4bb
pma
authored
Nov 02, 2020
2ebeb4bb
06 Oct, 2020
3 commits
reorganizing the structure of the repo
· fd596f8c
pma
authored
Oct 06, 2020
fd596f8c
updated setup.py
· 80592d17
pma
authored
Oct 06, 2020
80592d17
adding the __main__ statement
· 15f0b3d7
pma
authored
Oct 06, 2020
15f0b3d7
05 Oct, 2020
4 commits
dl url to setup.py
· f935fd3c
pma
authored
Oct 05, 2020
f935fd3c
description file
· 5af7ad2d
pma
authored
Oct 05, 2020
5af7ad2d
env mod
· 9f048f52
pma
authored
Oct 05, 2020
9f048f52
formatting for pypi distrib
· 2b7b4946
pma
authored
Oct 05, 2020
2b7b4946
03 Jul, 2020
1 commit
up chemosan functions
· 8246920a
pma
authored
Jul 03, 2020
8246920a
26 Jun, 2020
1 commit
zipping the shit
· 141c3957
pma
authored
Jun 26, 2020
141c3957
09 Jun, 2020
11 commits
limits
· 8ca1bb76
pma
authored
Jun 09, 2020
8ca1bb76
IK securised function
· 6c951d6b
pma
authored
Jun 09, 2020
6c951d6b
Add LICENSE
· 4ae4119a
pma
authored
Jun 09, 2020
4ae4119a
mod gitignore
· c0a615cf
pma
authored
Jun 09, 2020
c0a615cf
remooving vscode and add gitignore
· 2732ac35
pma
authored
Jun 09, 2020
2732ac35
role
· 060ec536
pma
authored
Jun 09, 2020
060ec536
path mod
· 55037492
pma
authored
Jun 09, 2020
55037492
up readme
· f495401c
pma
authored
Jun 09, 2020
f495401c
updated readme and rm draft.py
· bac6fc43
pma
authored
Jun 09, 2020
bac6fc43
additional print statement
· 60d1a237
pma
authored
Jun 09, 2020
60d1a237
remooving intermediate ROMol for memory opt
· e79920fc
pma
authored
Jun 09, 2020
e79920fc
08 Jun, 2020
4 commits
now fully parralelized
· 8a699732
pma
authored
Jun 08, 2020
8a699732
tqdm rem
· f9936fcf
pma
authored
Jun 08, 2020
f9936fcf
first commit
· f23afc6b
pma
authored
Jun 08, 2020
f23afc6b
Initial commit
· d7f43eab
pma
authored
Jun 08, 2020
d7f43eab