pub_soft/foldingdiff
3
0
Fork 0
mirror of https://github.com/microsoft/foldingdiff.git synced 2026-06-04 13:30:33 +08:00
Code Issues Packages Projects Releases Wiki Activity

More example commands

Browse Source
This commit is contained in:
Kevin Wu
2022-09-26 13:39:12 -07:00
parent f6b8b8d342
commit e54595fb47
1 changed files with 5 additions and 3 deletions
Download Patch File Download Diff File Expand all files Collapse all files

8
README.md
View File

@@ -60,14 +60,16 @@ cd data # Ensure that you are in the data subdirectory within the codebase
## Sampling protein backbones
To sample protein backbones, use the script `bin/sample.py`. An example command to do this using the pretrained weights described above is as follows.
To sample protein backbones, use the script `bin/sample.py`. Example commands to do this using the pretrained weights described above is as follows.
```bash
# To sample 256 backbones
python ~/projects/protdiff/bin/sample.py ~/projects/protdiff/models/cath_pretrained --num 256 --device cuda:3
# To sample 10 backbones per length ranging from [50, 128) - this reproduces results in our manuscript
python ~/projects/protdiff/bin/sample.py ~/projects/protdiff/models/cath_pretrained -l sweep --device cuda:3
```
This will run the model contained in the `results` folder and generate 512 sequences of varying lengths.
Not specifying a device will default to the first device `cuda:0`; use `--device cpu` to run on CPU. This will create the following directory structure in the diretory where it is run:
This will run the model contained in the `results` folder and generate 512 sequences of varying lengths. Not specifying a device will default to the first device `cuda:0`; use `--device cpu` to run on CPU. This will create the following directory structure in the diretory where it is run:
```
some_dir/