Features GROMACS .tpr files can now be referenced with and without the file extension. (#32) Added Makefile to project. (#36) Bugfixes fixed crash during analyze, if some simulations have not started/finished yet. (#26) Suppress FutureWarning caused by h5py. (#35) Misc Updated docstrings and console output of generate, submit and analyze functions. (#36) Added more unit tests. (#36
3.4.1 (2021-07-30) Bug Fixes deps: pin dependency @ngbmodule/material-carousel to 0.7.1 (0d1acde) d...
Bugifix Picard's CollectMultipleMetrics has an unmet dependency to R in the bioconda module. This is...
version-1.9 2023-07-20 - fix a problem during parsing (issue #81) - fix a memory leak (issue #82) - ...
This is probably the last release before we introduce a new CLI for mdbenchmark plot with version 2....
This is the last release before we introduce a new command-line interface for mdbenchmark plot and s...
After lots of work, MDBenchmark 2.0 is finished. This new release includes major improvements to the...
Bugfixes Module name validation is now performed case insensitive. (#61) Misc Consolidate common ...
The Biopython Project is a long-running distributed collaborative effort, supported by the Open Bioi...
Published in BMC Bioinformatics https://bmcbioinformatics.biomedcentral.com/articles/10.1186/s12859-...
Releasing code associated with our paper (here https://www.biorxiv.org/content/10.1101/2021.08.05.45...
Features Add functionality to perform benchmarks with NAMD. (#29) Consolidated internal API to outp...
2.5.0 (2021-07-09) Bug Fixes dispatch: downloading created COMBINE/OMEX archives (03895bf) correcti...
What's Changed Expand build matrix by @wasade in https://github.com/biocore/unifrac/pull/144 Full ...
What's Changed Fixing bam2fastq issue and update material for paper by @cokelaer in https://github....
Flanking sequences for PTMs added to PTM peptide tables (7aa + PTM-aa + 7aa, for each PTM of a pepti...
3.4.1 (2021-07-30) Bug Fixes deps: pin dependency @ngbmodule/material-carousel to 0.7.1 (0d1acde) d...
Bugifix Picard's CollectMultipleMetrics has an unmet dependency to R in the bioconda module. This is...
version-1.9 2023-07-20 - fix a problem during parsing (issue #81) - fix a memory leak (issue #82) - ...
This is probably the last release before we introduce a new CLI for mdbenchmark plot with version 2....
This is the last release before we introduce a new command-line interface for mdbenchmark plot and s...
After lots of work, MDBenchmark 2.0 is finished. This new release includes major improvements to the...
Bugfixes Module name validation is now performed case insensitive. (#61) Misc Consolidate common ...
The Biopython Project is a long-running distributed collaborative effort, supported by the Open Bioi...
Published in BMC Bioinformatics https://bmcbioinformatics.biomedcentral.com/articles/10.1186/s12859-...
Releasing code associated with our paper (here https://www.biorxiv.org/content/10.1101/2021.08.05.45...
Features Add functionality to perform benchmarks with NAMD. (#29) Consolidated internal API to outp...
2.5.0 (2021-07-09) Bug Fixes dispatch: downloading created COMBINE/OMEX archives (03895bf) correcti...
What's Changed Expand build matrix by @wasade in https://github.com/biocore/unifrac/pull/144 Full ...
What's Changed Fixing bam2fastq issue and update material for paper by @cokelaer in https://github....
Flanking sequences for PTMs added to PTM peptide tables (7aa + PTM-aa + 7aa, for each PTM of a pepti...
3.4.1 (2021-07-30) Bug Fixes deps: pin dependency @ngbmodule/material-carousel to 0.7.1 (0d1acde) d...
Bugifix Picard's CollectMultipleMetrics has an unmet dependency to R in the bioconda module. This is...
version-1.9 2023-07-20 - fix a problem during parsing (issue #81) - fix a memory leak (issue #82) - ...
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