Commits · main · Lucas ROUAUD / smiffer

Jan 06, 2025
- Changed version. · a6d88e63
  Lucas ROUAUD authored 2 months ago
  
  a6d88e63
- Merging modifications. · 2f7bf103
  Lucas ROUAUD authored 2 months ago
  
  2f7bf103
Dec 08, 2024
- Deleting 'IS_NUCLEIC'. Bisou Alexis. · f6c5b388
  Lucas ROUAUD authored 3 months ago
  
  f6c5b388
- Update file benchmark.md · bd25140d
  Lucas ROUAUD authored 3 months ago
  
  bd25140d
Dec 04, 2024
- fixed crash when a pdb input doesn't specify chainIDs · e2086e19
  Diego Barquero Morera authored 4 months ago
  
  e2086e19
- implement possibility to save grids in MRC binary format · c1149217
  Diego Barquero Morera authored 4 months ago
  
  c1149217
Oct 15, 2024
- Updating the doc for the new benchmark results. · 506ab54c
  Lucas ROUAUD authored 5 months ago
  
  506ab54c
- Updating the software · ee57dab1
  Lucas ROUAUD authored 5 months ago
  
  ee57dab1
Oct 07, 2024
- YOLO merging. · 7502ea78
  Lucas ROUAUD authored 5 months ago
  
  7502ea78
Oct 02, 2024
- do not consider hydrogens for the trimming/grid calculations · 458f9d1f
  Diego Barquero Morera authored 6 months ago
  
  458f9d1f
- default delta value is preferred (instead of default resolution) · 67d00c43
  Diego Barquero Morera authored 6 months ago
  
  67d00c43
- added new method of Hbonds (bivariate gaussian) · 430c783a
  Diego Barquero Morera authored 6 months ago
  
  430c783a
Sep 30, 2024
- Correcting typos. · c2619f1b
  FilouPlains authored 6 months ago
  
  c2619f1b
- separated hydrophobicity and hidrophilicity as two different grids · 6b7d0585
  Diego Barquero Morera authored 6 months ago
  
  6b7d0585
- Correcting typos. · 8e669adb
  FilouPlains authored 6 months ago
  
  8e669adb
- adding support for RNA hydrophobicity · d1513550
  Diego Barquero Morera authored 6 months ago
  
  d1513550
Sep 27, 2024
- hdrophobicity now uses WW scale · afd56f97
  Diego Barquero Morera authored 6 months ago
  
  afd56f97
- corrected some typos · ec28245f
  Diego Barquero Morera authored 6 months ago
  
  ec28245f
- Merge branch 'main' of gitlab.galaxy.ibpc.fr:rouaud/smiffer · 1f0cf87f
  Lucas ROUAUD authored 6 months ago
  
  1f0cf87f
- Updating plots and formulas. · 8b0f9e91
  Lucas ROUAUD authored 6 months ago
  
  8b0f9e91
- Updating the script for 6X3V. · 33ae80e2
  Lucas ROUAUD authored 6 months ago
  
  33ae80e2
- Adding 6X3V for the benchmark and performance analysis. · f213bca9
  Lucas ROUAUD authored 6 months ago
  
  f213bca9
Sep 18, 2024
- Correcting benchmark list selection. · efe55bbd
  FilouPlains authored 6 months ago
  
  efe55bbd
Sep 13, 2024
- Adding docstring. · b9bcf016
  Lucas ROUAUD authored 6 months ago
  
  b9bcf016
- Updating 'UPLOAD' script. · 98311c5b
  Lucas ROUAUD authored 6 months ago
  
  98311c5b
Sep 12, 2024
- Correcting the version · bcc8b705
  Lucas ROUAUD authored 6 months ago
  
  bcc8b705
- Updating README.md and JS PDB code. · 033c6d42
  Lucas ROUAUD authored 6 months ago
  
  033c6d42
Sep 10, 2024
- pipx should work now! · e35c4a90
  Lucas ROUAUD authored 6 months ago
  
  e35c4a90
Sep 09, 2024
- Correcting some typos in formula. · d2f9f11f
  Lucas ROUAUD authored 6 months ago
  
  d2f9f11f
Sep 05, 2024
- Updating and correcting formula. · 4e09f9cf
  FilouPlains authored 7 months ago
  
  4e09f9cf
- Can now publish to pypi. · d0c8df16
  Lucas ROUAUD authored 7 months ago
  
  d0c8df16
Aug 30, 2024
- Updating file tree diagram. · 9d3df2a0
  Lucas ROUAUD authored 7 months ago
  
  9d3df2a0
- Correcting a markdown typo. · 693feb7f
  Lucas ROUAUD authored 7 months ago
  
  693feb7f
- CorrectinG indentation, AGAIN !!! · 930ea9d9
  Lucas ROUAUD authored 7 months ago
  
  930ea9d9
- CorrectinG indentation, AGAIN ! · 9e056a53
  Lucas ROUAUD authored 7 months ago
  
  9e056a53
Aug 29, 2024
- Correctin an indentation… · c362c69a
  Lucas ROUAUD authored 7 months ago
  
  c362c69a
- Adding a table for performance information. · adb9a5ee
  Lucas ROUAUD authored 7 months ago
  
  adb9a5ee
- Updating performance plots. · e8464f6e
  Lucas ROUAUD authored 7 months ago
  
  e8464f6e
- Correct pytest. · 6a0d64aa
  Lucas ROUAUD authored 7 months ago
  
  6a0d64aa
- Inverting formula… · 25b3d348
  Lucas ROUAUD authored 7 months ago
  
  25b3d348