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puckvg (Puck van Gerwen)
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User Since
Mar 18 2021, 14:53 (198 w, 2 d)
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Available

Recent Activity
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Jan 7 2022

puckvg committed R11301:7361b4b17ae7: seems ok (authored by puckvg).
seems ok
Jan 7 2022, 14:31
puckvg committed R11301:90e3ba17ab56: acm ok? (authored by puckvg).
acm ok?
Jan 7 2022, 14:31

Jan 6 2022

puckvg committed R11301:1392955adabe: work (authored by puckvg).
work
Jan 6 2022, 15:18

Jan 4 2022

puckvg committed R11301:16d8a316e929: aCM doesnt work (authored by puckvg).
aCM doesnt work
Jan 4 2022, 16:31
puckvg committed R11301:9d7adea85e44: fix CM (authored by puckvg).
fix CM
Jan 4 2022, 16:31

Dec 21 2021

puckvg committed R11301:7fdebda55844: merge conflict (authored by puckvg).
merge conflict
Dec 21 2021, 17:40
puckvg committed R11301:7459716bca1e: aCM seems better but obj value still huge (authored by puckvg).
aCM seems better but obj value still huge
Dec 21 2021, 17:40

Dec 20 2021

puckvg committed R11301:b3236b2c31ff: add lots of new reps to try (authored by puckvg).
add lots of new reps to try
Dec 20 2021, 16:48
puckvg committed R11301:500a60d21a77: updated database and search is ok (authored by puckvg).
updated database and search is ok
Dec 20 2021, 16:02
puckvg committed R11301:d882c03886a3: update database required change to aqml code (authored by puckvg).
update database required change to aqml code
Dec 20 2021, 15:49
puckvg committed R11301:8e27e829e380: fix merge (authored by puckvg).
fix merge
Dec 20 2021, 15:49

Dec 17 2021

puckvg committed R11301:351c87156902: fix dims for vit d (authored by puckvg).
fix dims for vit d
Dec 17 2021, 12:01
puckvg committed R11301:1b168381f237: Merge branch 'master' of https://c4science.ch/diffusion/11301/molekuehl (authored by puckvg).
Merge branch 'master' of https://c4science.ch/diffusion/11301/molekuehl
Dec 17 2021, 12:01

Dec 15 2021

puckvg committed R11301:dea3a35bbba0: update data (authored by puckvg).
update data
Dec 15 2021, 12:03
puckvg committed R11301:bdb5302eeb90: add vector data for target and amons databases (authored by puckvg).
add vector data for target and amons databases
Dec 15 2021, 12:03
puckvg committed R11301:5cc7e9b3d9f7: changed database sizes to 7/8/9 max heavy atom fragments respectively (authored by puckvg).
changed database sizes to 7/8/9 max heavy atom fragments respectively
Dec 15 2021, 12:03
puckvg committed R11301:1f1e3e371fb6: add readme (authored by puckvg).
add readme
Dec 15 2021, 12:03

Nov 29 2021

puckvg committed R11301:327fab3e8a81: fixing merge issue (authored by puckvg).
fixing merge issue
Nov 29 2021, 11:13
puckvg committed R11301:83ee1e954e70: add optimal databases for each target (authored by puckvg).
add optimal databases for each target
Nov 29 2021, 11:13

Nov 23 2021

puckvg committed R11301:361d72e931d5: fix sign of constraint in obj (authored by puckvg).
fix sign of constraint in obj
Nov 23 2021, 13:57
puckvg committed R11301:c0cc91ff32f3: add output (authored by puckvg).
add output
Nov 23 2021, 13:56
puckvg committed R11301:2da90f129e25: update (authored by puckvg).
update
Nov 23 2021, 13:56
puckvg committed R11301:74a6c6e3bef1: fix merge (authored by puckvg).
fix merge
Nov 23 2021, 13:56

Nov 16 2021

puckvg committed R11301:3e70f256a0f5: add adjacency matrices and functional group information (authored by puckvg).
add adjacency matrices and functional group information
Nov 16 2021, 16:11
puckvg committed R11301:79bcac3b5cb3: :Merge branch 'master' of https://c4science.ch/diffusion/11301/molekuehl (authored by puckvg).
:Merge branch 'master' of https://c4science.ch/diffusion/11301/molekuehl
Nov 16 2021, 16:11

Nov 10 2021

puckvg committed R11301:aacc423084e7: adding xyz files for targets and database to look (authored by puckvg).
adding xyz files for targets and database to look
Nov 10 2021, 12:08

Sep 16 2021

puckvg committed R11301:3cc0e97f8a12: revert last commit (authored by puckvg).
revert last commit
Sep 16 2021, 16:36

Sep 13 2021

puckvg committed R11301:7b98704f5055: try to allow partial molecule match (authored by puckvg).
try to allow partial molecule match
Sep 13 2021, 11:08

Jun 30 2021

puckvg committed R11301:1b45bca55357: added comments and now it doesn't seem to be working (authored by puckvg).
added comments and now it doesn't seem to be working
Jun 30 2021, 16:26

Jun 25 2021

puckvg committed R11301:30edc66e0e5c: add ncharges (authored by puckvg).
add ncharges
Jun 25 2021, 13:50
puckvg committed R11301:8001508755b3: update readme (authored by puckvg).
update readme
Jun 25 2021, 13:50
puckvg committed R11301:932496916e1a: change to return indices of match (authored by puckvg).
change to return indices of match
Jun 25 2021, 12:07
puckvg committed R11301:e34a2155c356: Updated project.tex (authored by puckvg).
Updated project.tex
Jun 25 2021, 11:39

Apr 22 2021

puckvg committed R11301:b94aad4e00c2: data and README (authored by puckvg).
data and README
Apr 22 2021, 16:34
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