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17 Open 40 Closed
17 Open 40 Closed
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Issues list

How to integrate E3FP fingerprints of multiple conformations of a molecule
#87 opened Nov 30, 2024 by Leslie-yq
How to disable |INFO| message?
#78 opened Oct 3, 2024 by amolpatil1983
2
problems encountered upon installation
#74 opened May 13, 2024 by slchan3
2
Float instead of integers in n_confs
#73 opened Apr 10, 2024 by j-adamczyk
1
Question about fingerprints of stereoisomers
#72 opened Jun 15, 2023 by BJWiley233
1
Replacing python_utilities.parallel
#65 opened Jun 2, 2022 by sethaxen
1
e3fp for diatomic molecules
#58 opened Aug 16, 2021 by FanwangM
1
Why you can not generate fingerprints with multiples x3?
#56 opened Feb 12, 2021 by PARODBE
1
ERROR|Error generating fingerprints for . Traceback (most recent call last):
#55 opened Feb 10, 2021 by PARODBE
2
problem with smart_open ?
#47 opened Oct 23, 2020 by slchan3
2
Database I/O and conformer/fingerprint storage question
#36 opened Aug 15, 2019 by aparente-nurix
3
Add timeout feature during conformer generation enhancement
#34 opened Jul 22, 2019 by wujinkui
2
HDF5 writing errors due to previously generated conformers
#21 opened May 19, 2017 by 8li
4
Fingerprint generation runs and fails on [Cl-].[K+] (and possibly similar molecules) bug
#18 opened May 16, 2017 by 8li Version 1.3
@sethaxen
4
Fix clobbering in output log files
#17 opened May 9, 2017 by 8li
@sethaxen
1
Add ability to store structural backpointers while fingerprinting enhancement
#7 opened Nov 12, 2015 by sethaxen
4 tasks
@sethaxen
Add unit tests
#6 opened Oct 21, 2015 by sethaxen Version 1.3
@sethaxen
1
ProTip! What’s not been updated in a month: updated:<2024-11-30.