Issues
- 1
- 2
Add the QuickVina docking engine
#94 opened - 20
- 0
docking tool implementation in oddt
#90 opened - 7
pip failed to install
#89 opened - 1
documentation may need updating
#87 opened - 3
- 1
Segmentation fault (core dumped)
#81 opened - 2
SimpleInteractionFingerprint error
#80 opened - 10
Charges in PDBQT files
#77 opened - 3
- 9
- 3
Snippet 1 not producing csv files
#70 opened - 5
Index error in min_symmetry RMSD method
#67 opened - 0
- 0
- 0
- 1
- 2
oddt_cli gives "bad interpreter" error
#45 opened - 1
atom_dict performance issues with RDKit
#41 opened - 0
Molecule.protein flag bugs
#39 opened - 0
Implement SQM/COSMO scoring function
#38 opened - 0
Implement RI-Score
#36 opened - 0
- 4
- 0
Implement X-Score
#26 opened - 0
Knime Nodes
#23 opened - 0
Check and introduce Python 3.6 support
#22 opened - 0
Implement Delta Vina scoring function
#21 opened - 0
Runtime performace regression testing
#20 opened - 0
Implement Glide support
#19 opened - 1
CASF 2007 & 2013 wrapper
#18 opened - 1
DUD-E database wrapper
#17 opened - 10
Where get the data "input_ligands.sdf" ?
#16 opened - 6
pdbqt protein
#14 opened - 4
examples?
#12 opened - 0
Enhance pandas support
#11 opened - 0
Implement additional SMARTS filters
#9 opened - 1
Implement SiFT fingerprint
#8 opened - 1
Implement USRs
#7 opened - 0
RFscore v2 and v3 implementation
#6 opened - 10
vina error
#5 opened - 2
ValueError in
#4 opened - 17
Integration into the ChemicalToolBox
#3 opened