v1.6.0
What's Changed
- Correct the coordinates computation for small residue graohs, and when granularity: centroids by @manonreau in #220
- Logging by @a-r-j in #221
- Fix bug in
add_k_nn_edges
and add minor extension by @anton-bushuiev in #229 - Catch AF2 download error #225 by @a-r-j in #226
- Add minimal install workflow by @a-r-j in #230
- Modify graphs.py to handle insertions when
{'insertions': True}
by @manonreau in #223 - control protein graph construction verbosity by @davidfstein in #242
- fix peptide bonds for all atom graphs by @a-r-j in #254
- Add tensor parsing util by @a-r-j in #244
- Fix typo in problematic_pdbs.rst by @eltociear in #258
- Fix and improve the utilities for PyG by @anton-bushuiev in #234
- add graph construction from a dataframe by @a-r-j in #264
- Fix graph sequence (atomistic graphs in
initialise_graph_with_metadata
had duplicated residues) by @kamurani in #268 - Add improved error message for non standard node funcs #274 by @a-r-j in #275
- clean up unused files and move docs from root by @a-r-j in #276
- prelim path support #269 by @a-r-j in #277
- Switch to miniconda for build by @a-r-j in #278
- Improve altloc handling by @anton-bushuiev in #263
- Df processing #216 by @a-r-j in #222
- Minor patch
convert_nx_to_pyg
#280 by @rg314 in #281 - changes for 1.6.0 by @a-r-j in #279
New Contributors
- @manonreau made their first contribution in #220
- @anton-bushuiev made their first contribution in #229
- @pre-commit-ci made their first contribution in #233
- @davidfstein made their first contribution in #242
- @eltociear made their first contribution in #258
Full Changelog: v1.5.2...v1.6.0