Models
Datasets
Spaces
Posts
Docs
Enterprise
Pricing
Log In
Sign Up

Spaces:

tonigi
/

moliety2

Running

App Files Files Community

Fetching metadata from the HF Docker repository...

1 contributor

History: 57 commits

tonigi's picture

comment

3a66f46 4 days ago

data
comment 4 days ago
old
import old files 29 days ago
.gitattributes

1.52 kB

merge hf 30 days ago
.gitignore

19 Bytes

Another rotatable definition 28 days ago
.gitmodules

105 Bytes

now a submodule 21 days ago
README.md

1.18 kB

feat: update SDK version to 5.19.0 and enhance README with protonation mode details 21 days ago
app.py

14.6 kB

fixup 4 days ago
file_helpers.py

1.69 kB

fixup 4 days ago
requirements.txt

25 Bytes

reqs 30 days ago
rotatable_bonds.py

2.85 kB

ruff 20 days ago
utils.py

3.02 kB

feat: add detailed docstrings for rotatable bond functions and utility methods 28 days ago