-
想请问下代码里面用oneil_drug_informax_feat.txt做为药物的初始特征，这个信息是包含了哪些信息呢？是如何计算得到的呢？期待回复！
-
**Is your feature request related to a problem? Please describe.**
I have a bunch of adsorbed species, and can make then directly into rdkit objects fairly easily. However, to make them into astart…
-
Dear Fredrik, how is your input file looking. From https://tripod.nih.gov/tox21/challenge/data.jsp I get a file called tox21_10k_data_all.sdf but your code loads in a .csv file.
from 002_RF_LGBM_Pr…
-
### Week 1 - Get to know the community
- [X] Join the communication channels
- [X] Open a GitHub issue (this one!)
- [x] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…
-
We've been having a number of conversations within the DeepChem development team about the future of DeepChem. We want to open out our discussion to the broader community to get your feedback on what …
-
see https://github.com/FZJ-INM1-BDA/siibra-python/actions/runs/3969041796/jobs/6802998498
to reproduce:
```python
from siibra.features.molecular.receptor_density_fingerprint import ReceptorDens…
-
-
### Week 1 - Get to know the community
- [x] Join the communication channels
- [x] Open a GitHub issue (this one!)
- [x] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…
-
Hello,
I had some questions regarding setting up my own project using the Reinforcement_Learning notebook:
- The scoring function makes use of the Aurora kinase model in the demo. If I would lik…
-
### Week 1 - Get to know the community
- [X] Join the communication channels
- [X] Open a GitHub issue (this one!)
- [X] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…