-
It would be helpful to be able to specify mol2 and pdb molecule files as inputs for the `Component` class
-
**Is your feature request related to a problem? Please describe.**
Add linters to molecule test sequences
**Describe the solution you'd like**
Add the following line into `molecule.yml`:
```
li…
-
**Describe the bug**
No aromaticity is found in this molecule, `C1=CC2=CC3=CC=C4C=C1C2C34` :
:
File "/data/zhangjunyi/DeeplyTough/deeplytough/scripts/toughm1_benchmark.py", line 6, in
…
-
The functions used for displaying molecule images using CDK are currently defined in two places. These should be defined in a module, and imported to the components where they are used rather than bei…
-
1) Search for JQ1
2) 2 molecules should be shown:
JQ1(+) http://lincsportal.ccs.miami.edu/signatures/perturbations/40383
and
JQ1 (-) http://lincsportal.ccs.miami.edu/signatures/perturbations/403…