Commits · db58e901279a55b66e991ec09c227156e178a2bd · InDeep / InDeep

02 Nov, 2021 1 commit
- added more jit instructions and changed some loader calls based on the... · db58e901
  Vincentx15 authored Nov 02, 2021
```
added more jit instructions and changed some loader calls based on the refactorings of the data processing
```
  db58e901
26 Oct, 2021 2 commits
- shuffling the keys · 5f23a22a
  Vincentx15 authored Oct 26, 2021
  
  5f23a22a
- added the apo loading into the learning framework. · 5aa74b8b
  Vincentx15 authored Oct 26, 2021
  
  5aa74b8b
25 Oct, 2021 1 commit
- fixed hdf5 creation to include apo and lig dirs. · 7da9f4f2
  Vincentx15 authored Oct 25, 2021
  
  7da9f4f2
22 Oct, 2021 1 commit
- fixed a bug in the txt databases, added the hdf5 computation · 66b42cc2
  Vincentx15 authored Oct 22, 2021
  
  66b42cc2
20 Oct, 2021 2 commits
- more documentation and tqdm · 3b6d85c1
  Vincentx15 authored Oct 20, 2021
  
  3b6d85c1
- db picking · a8084985
  Vincentx15 authored Oct 20, 2021
  
  a8084985
19 Oct, 2021 2 commits
- preparation of the database is set · 8e671691
  Vincentx15 authored Oct 19, 2021
  
  8e671691
- more docs for preparing the data, adding some processing for the apo files · 2caee115
  Vincentx15 authored Oct 19, 2021
  
  2caee115
30 Aug, 2021 2 commits
- more error catching and renaming the default · 9e4c3e7c
  Vincentx15 authored Aug 30, 2021
  
  9e4c3e7c
- small fix for ambiguity testset vs test_set · 2a34fcf4
  Vincentx15 authored Aug 30, 2021
  
  2a34fcf4
27 Aug, 2021 3 commits
- accidentally removed the 3D validation. put it back along with the... · 07c3e611
  Vincentx15 authored Aug 27, 2021
```
accidentally removed the 3D validation. put it back along with the implementation for the test set hd
```
  07c3e611
- inference on hd test set · a0d9fd83
  Vincentx15 authored Aug 27, 2021
  
  a0d9fd83
- added some docs and refactorings, added hd test set preparation · 21c3e545
  Vincentx15 authored Aug 27, 2021
  
  21c3e545
26 Jul, 2021 2 commits
- removed superfluous weight file from the git · dba347fe
  Vincentx15 authored Jul 26, 2021
  
  dba347fe
- cleaned the repo a bit and made the readme clearer · 8605f0a2
  Vincentx15 authored Jul 26, 2021
  
  8605f0a2
15 Jul, 2021 2 commits
- default to final and print results · 11ca33d8
  Vincentx15 authored Jul 15, 2021
  
  11ca33d8
- changed the test set and adapted the script to compute the new values with the last model · a463f312
  Vincentx15 authored Jul 15, 2021
  
  a463f312
05 Jul, 2021 5 commits
- Merge branch 'master' of gitlab.pasteur.fr:bougui/DeepInterface · 0c61f0a6
  Vincentx15 authored Jul 05, 2021
  
  0c61f0a6
- default in linking ini · c213a92c
  Vincentx15 authored Jul 05, 2021
  
  c213a92c
- starting from solvent point closest to anchor · 6a37e8df
  Guillaume BOUVIER authored Jul 05, 2021
  
  6a37e8df
- starting from anchor · 563e070f
  Guillaume BOUVIER authored Jul 05, 2021
  
  563e070f
- soft mask for the protein · e6f471ad
  Guillaume BOUVIER authored Jul 05, 2021
  
  e6f471ad
02 Jul, 2021 6 commits
- no mask added for the flooding · 90ba4850
  Guillaume BOUVIER authored Jul 02, 2021
  
  90ba4850
- mask added for the flooding · c7ef2755
  Guillaume BOUVIER authored Jul 02, 2021
  
  c7ef2755
- Merge branch 'master' of gitlab.pasteur.fr:bougui/DeepInterface · d4b52d32
  Guillaume BOUVIER authored Jul 02, 2021
  
  d4b52d32
- mask added for the flooding · 68e3a7b5
  Guillaume BOUVIER authored Jul 02, 2021
  
  68e3a7b5
- Merge branch 'master' of gitlab.pasteur.fr:bougui/DeepInterface · f227595f
  Vincentx15 authored Jul 02, 2021
  
  f227595f
- print results for the channel · a5273937
  Vincentx15 authored Jul 02, 2021
  
  a5273937
01 Jul, 2021 1 commit
- pdb reference for the pocket definition · e81461a5
  Guillaume BOUVIER authored Jul 01, 2021
  
  e81461a5
30 Jun, 2021 6 commits
- Using center of patch protein surface as the source of the flooding · af8982f2
  Guillaume BOUVIER authored Jun 30, 2021
  
  af8982f2
- Closest solvent point to the center of the box defined as flooding source · beac711d
  Guillaume BOUVIER authored Jun 30, 2021
  
  beac711d
- Efficient Dijkstra · 62f2b004
  Guillaume BOUVIER authored Jun 30, 2021
  
  62f2b004
- checkpoints for output dcd · c303a570
  Guillaume BOUVIER authored Jun 30, 2021
  
  c303a570
- Flooding bassins using Dijkstra. Using center of patch protein surface as the... · dc09a43c
  Guillaume BOUVIER authored Jun 30, 2021
```
Flooding bassins using Dijkstra. Using center of patch protein surface as the source of the flooding
```
  dc09a43c
- Flooding bassins using Dijkstra. Harder mask · 3eddbe9a
  Guillaume BOUVIER authored Jun 30, 2021
  
  3eddbe9a
29 Jun, 2021 2 commits
- Flooding bassins using Dijkstra · 58b90aec
  Guillaume BOUVIER authored Jun 29, 2021
  
  58b90aec
- mask for local_blobber · 1ed649fe
  Guillaume BOUVIER authored Jun 29, 2021
  
  1ed649fe
25 Jun, 2021 2 commits
- Merge branch 'master' of gitlab.pasteur.fr:bougui/DeepInterface · 2df52fcc
  Vincentx15 authored Jun 25, 2021
  
  2df52fcc
- added new validation : we add the distributions around each voxels. · eb6f77a5
  Vincentx15 authored Jun 25, 2021
  
  eb6f77a5