Issues

• How to integrate E3FP fingerprints of multiple conformations of a molecule

  keiserlab/e3fp#87 · Filter by author model-fps opened on Nov 30, 2024

• How to disable |INFO| message?

  keiserlab/e3fp#78 · Filter by author amolpatil1983 opened on Oct 3, 2024
  2

• problems encountered upon installation

  keiserlab/e3fp#74 · Filter by author slchan3 opened on May 13, 2024
  2

• Question about fingerprints of stereoisomers

  keiserlab/e3fp#72 · Filter by author BJWiley233 opened on Jun 15, 2023
  1

• Replacing python_utilities.parallel

  keiserlab/e3fp#65 · Filter by author sethaxen opened on Jun 2, 2022
  1

• e3fp for diatomic molecules

  keiserlab/e3fp#58 · Filter by author FanwangM opened on Aug 16, 2021
  1

• Why you can not generate fingerprints with multiples x3?

  keiserlab/e3fp#56 · Filter by author PARODBE opened on Feb 12, 2021
  1

• ERROR|Error generating fingerprints for . Traceback (most recent call last):

  keiserlab/e3fp#55 · Filter by author PARODBE opened on Feb 10, 2021
  2

• problem with smart_open ?

  keiserlab/e3fp#47 · Filter by author slchan3 opened on Oct 23, 2020
  2

• Database I/O and conformer/fingerprint storage

  question
  keiserlab/e3fp#36 · Filter by author aparente-nurix opened on Aug 15, 2019
  3

• Add timeout feature during conformer generation

  enhancement
  keiserlab/e3fp#34 · Filter by author wujinkui opened on Jul 22, 2019
  2

• HDF5 writing errors due to previously generated conformers

  keiserlab/e3fp#21 · Filter by author 8li opened on May 19, 2017
  4

• Fingerprint generation runs and fails on [Cl-].[K+] (and possibly similar molecules)

  bug
  keiserlab/e3fp#18 · Filter by author 8li opened on May 16, 2017 · Version 1.3
  4

  

• Fix clobbering in output log files

  keiserlab/e3fp#17 · Filter by author 8li opened on May 9, 2017
  1

  

• Add ability to store structural backpointers while fingerprinting

  enhancement
  keiserlab/e3fp#7 · Filter by author sethaxen opened on Nov 12, 2015
  

• Add unit tests

  keiserlab/e3fp#6 · Filter by author sethaxen opened on Oct 21, 2015 · Version 1.3
  1