22
33# DeepInteract
44
5- [ ![ Paper] ( http://img.shields.io/badge/paper-arxiv.2110.02423-B31B1B.svg )] ( https://arxiv.org/abs/2110.02423 ) [ ![ DOI] ( https://zenodo.org/badge/DOI/10.5281/zenodo.5546775 .svg )] ( https://doi.org/10.5281/zenodo.5546775 )
5+ [ ![ Paper] ( http://img.shields.io/badge/paper-arxiv.2110.02423-B31B1B.svg )] ( https://arxiv.org/abs/2110.02423 ) [ ![ DOI] ( https://zenodo.org/badge/DOI/10.5281/zenodo.5797024 .svg )] ( https://doi.org/10.5281/zenodo.5797024 )
66
77[ <img src =" https://twixes.gallerycdn.vsassets.io/extensions/twixes/pypi-assistant/1.0.3/1589834023190/Microsoft.VisualStudio.Services.Icons.Default " width =" 50 " />] ( https://pypi.org/project/DeepInteract/ )
88
@@ -234,11 +234,12 @@ Now that we know Docker is functioning properly, we can begin building our Docke
234234 DI_DIR=$(pwd)
235235 ```
236236
237- 2. Download the trained model checkpoint .
237+ 2. Download our trained model checkpoints .
238238
239239 ```bash
240240 mkdir -p project/checkpoints
241- wget -P project/checkpoints https://zenodo.org/record/5546775/files/LitGINI-GeoTran-DilResNet.ckpt
241+ wget -P project/checkpoints https://zenodo.org/record/5797024/files/LitGINI-GeoTran-DilResNet.ckpt
242+ wget -P project/checkpoints https://zenodo.org/record/5797024/files/LitGINI-GeoTran-DilResNet-DB5-Fine-Tuned.ckpt
242243 ```
243244
2442453. Build the Docker image (Warning: Requires ~13GB of Space):
@@ -398,9 +399,9 @@ mkdir -p project/datasets/DIPS/final
398399cd project/datasets/DIPS/final
399400
400401# Download DIPS-Plus
401- wget https://zenodo.org/record/5546775 /files/final_raw_dips.tar.gz
402- wget https://zenodo.org/record/5546775 /files/final_processed_dips.tar.gz.partaa
403- wget https://zenodo.org/record/5546775 /files/final_processed_dips.tar.gz.partab
402+ wget https://zenodo.org/record/5797024 /files/final_raw_dips.tar.gz
403+ wget https://zenodo.org/record/5797024 /files/final_processed_dips.tar.gz.partaa
404+ wget https://zenodo.org/record/5797024 /files/final_processed_dips.tar.gz.partab
404405
405406# First, reassemble all processed DGLGraphs
406407# We split the (tar.gz) archive into two separate parts with
@@ -416,8 +417,8 @@ rm final_processed_dips.tar.gz.parta* final_raw_dips.tar.gz final_processed_dips
416417# Download CASP-CAPRI
417418mkdir -p ../../CASP_CAPRI/final
418419cd ../../CASP_CAPRI/final
419- wget https://zenodo.org/record/5546775 /files/final_raw_casp_capri.tar.gz
420- wget https://zenodo.org/record/5546775 /files/final_processed_casp_capri.tar.gz
420+ wget https://zenodo.org/record/5797024 /files/final_raw_casp_capri.tar.gz
421+ wget https://zenodo.org/record/5797024 /files/final_processed_casp_capri.tar.gz
421422
422423# Extract CASP-CAPRI
423424tar -xzf final_raw_casp_capri.tar.gz
@@ -442,9 +443,10 @@ cd ..
442443# Return to root directory of DeepInteract repository
443444cd "$DI_DIR"
444445
445- # Download the trained model checkpoint
446+ # Download our trained model checkpoints
446447mkdir -p project/checkpoints
447- wget -P project/checkpoints https://zenodo.org/record/5546775/files/LitGINI-GeoTran-DilResNet.ckpt
448+ wget -P project/checkpoints https://zenodo.org/record/5797024/files/LitGINI-GeoTran-DilResNet.ckpt
449+ wget -P project/checkpoints https://zenodo.org/record/5797024/files/LitGINI-GeoTran-DilResNet-DB5-Fine-Tuned.ckpt
448450```
449451
450452### Predict interface contact probability maps
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