Commit History

Fix: Move superimposed viewer controls (Reset, Surface, Spin) inside the viewer box
cda5ee8

hemantn Cursor commited on

Fix: Create combined ligand file (4_ligands_corrected.pdb) for separate ligand download
c8c64e5

hemantn commited on

Fix: Properly handle errors from prepare_structure in API endpoint
d6bccfb

hemantn commited on

Fix: Require chain selection for structure preparation (no default to all chains)
bf5aaae

hemantn commited on

Fix: Use autodock-vina 1.1.2 from bioconda, add prody and numpy<2.0 deps
27491d1

hemantn commited on

trigger rebuild
9bb0f89

hemantn commited on

Rename project from AmberFlow to AmberPrep
fa25632

hemantn commited on

Trigger rebuild
8986024

hemantn commited on

Add gemmi for Meeko; fix numpy conflict with PyMOL
0be42fd

hemantn commited on

Fix: use conda-forge::vina (not autodock-vina)
08d4893

hemantn commited on

Trigger rebuild
6273ef6

hemantn commited on

Docker: use Miniforge instead of Miniconda to fix Anaconda ToS CI failures
1c8d468

hemantn commited on

Add Hugging Face Spaces YAML config to README
03e1878

hemantn commited on

Sync with development: Dockerfile (meeko, vina, openbabel, PYTHONPATH), amberflow package, .gitignore. Exclude Test/ (binary .ncrst not allowed on HF Hub).
cde5d27

hemantn commited on

year changed
3000eac

hemantn commited on

solvated viewer file permission error corrected
b8d82c9

hemantn commited on

Fix viewer PDB file generation and loading
05c92c8

hemantn commited on

Fix solvated protein preview with dedicated viewer route
c88d38f

hemantn commited on

permission access added
0cfc367

hemantn commited on

pymol compatibility issue resolved
eaa0f3c

hemantn commited on

timeout command removed from docker file
1c33579

hemantn commited on

Accept conda Terms of Service for build
e5b2f14

hemantn commited on

Fix system dependencies for Debian Trixie compatibility
939d400

hemantn commited on

Fix conda installation for ambertools and pymol
03f79eb

hemantn commited on

YAML error fixed
bf5f9c7

hemantn commited on

Deploy AmberFlow to Hugging Face Spaces
cc7c981

hemantn commited on

initial commit
6d0ef0d
verified

hemantn commited on