Comments (1)
Workaround:
PocketBioPython
class method will return None, if HSExposure
throws the observed error (check by error type and message).
Line 94 in 8d7ac07
Fingerprint
class method will return None, if PocketBioPython
object is None:
kissim/kissim/encoding/fingerprint.py
Line 63 in 8d7ac07
from kissim.
Related Issues (20)
- Fix kinase distance matrix diagonal HOT 2
- Add FingerprintDistanceGenerator.from_fingerprint_generator()
- Change default for Fingerprint.values_array()
- Change default for feature weights HOT 1
- All one-against-all comparisons
- Exposure feature cutoff
- Correct typos in document example code HOT 2
- Schedule CI once a week (not daily)
- Add more default output files to compare API/CLI
- Generate fingerprint from PDB file + pocket indices HOT 1
- Rename `master` to `main` HOT 1
- Add SCO cutoffs to definitions
- Check docstrings coverage with interrogate
- Subset fingerprint by ligand-interacting residues HOT 2
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- Installation docs assume conda-forge channel already in conda config
- Add CITATION.cff
- Reminder: Remove pin for `ipywidgets<8`
- Check if ipywidgets pin is working
- Bump up env/CI to Python >=3.8
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