D3r

Latest version: v1.12.0

Safety actively analyzes 630130 Python packages for vulnerabilities to keep your Python projects secure.

Scan your dependencies

Page 3 of 6

1.7.1

--------------------

* Bug fix, evaluation task will not fail if call to external
script fails. `Issue 129 <https://github.com/drugdata/D3R/issues/129>`_

1.7.0

--------------------

* Added Post Evaluation Stage which summarizes evaluations
of all docking submissions sending email to addresses set
by --summaryemail flag
`Issue 111 <https://github.com/drugdata/D3R/issues/111>`_
`Issue 110 <https://github.com/drugdata/D3R/issues/110>`_
`Issue 100 <https://github.com/drugdata/D3R/issues/100>`_

* If any task/stage fails report that via email to addresses
set by --summaryemail flag
`Issue 125 <https://github.com/drugdata/D3R/issues/125>`_

* Order of evaluation of external dock submissions can now be
dictated by a new column in participant_list.csv
`Issue 124 <https://github.com/drugdata/D3R/issues/124>`_

* A timeout has now been added for blastnfilter stage to prevent
the task/stage from running too long. Default is 24 hours, but
can be changed with --blastnfiltertimeout flag.
`Issue 8 <https://github.com/drugdata/D3R/issues/8>`_

* A timeout has now been added for evaluation stage to prevent
the task/stage from running too long. Default is 24 hours, but
can be changed with --evaluationtimeout flag.
`Issue 123 <https://github.com/drugdata/D3R/issues/123>`_

* Fixed bug in blastnfilter to correctly rank the list of
hiTanimoto candidates.

1.6.8

------------------

* Celpprunner puts lock file within specific week directory.
`Issue 122 <https://github.com/drugdata/D3R/issues/122>`_

1.6.7

------------------

* Increased retry time for challengedata download to 1 hour

* Updates to evaluation suffix structure (Allows for more complex suffixes after guids)

* Fixed bugs in CELPPade error messages

1.6.6

------------------

* Add retry to external submission downloads.
`Issue 112 <https://github.com/drugdata/D3R/issues/112>`_

1.6.5

------------------

* Fix the bug to skip invalid holo hit instead of terminating the whole blastnfilter process.
`Issue 89 <https://github.com/drugdata/D3R/issues/89>`_

* Fix the bug in the set sequence fuction where it original complains about the lower cased chain ID

Page 3 of 6

© 2024 Safety CLI Cybersecurity Inc. All Rights Reserved.