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### Model
Uni-Mol molecular representation - eos39co
### Molecules
CCCCCOCCCC
CCCCCCCCCCCCN
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Currently for CHIKV_Mac these similar molecules are assigned four different compound ID's
- `OC[C@@H]1CCC[C@@H]1Nc1ccc2[nH]cnc2c1Cl`: v4a
- `OC[C@H]1CCC[C@@H]1Nc1ccc2[nH]cnc2c1Cl`: v5a
- `OC[C@@H…
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Project Lead: ameerracle
Mentor:
Welcome to OLS-7! This issue will be used to track your project and progress during the program. Please use this checklist over the next few weeks as you s…
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- [ ] Make mouse models
- http://noctua.geneontology.org/editor/graph/gomodel:671ae02600003666?
- http://noctua.geneontology.org/editor/graph/gomodel:60e7989d00001485?
- …
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Hello, I would like to know if it is possible to use GraphMVP to encode molecule starting from their SMILES. I have read this [issue](https://github.com/chao1224/GraphMVP/issues/17), but that does not…
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Matteo is providing a new set of molecules that need to be added to the graph database. The expectation is that there will be about 200M molecules.
To process this we need to re-instate the fragmentat…
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### Model Inference Run: small-world-zinc
### Model
Small World Zinc search - eos1d7r
**Molecules: CCCCCO**
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### Setup
I am reporting a problem with Biopython version, Python version, and operating
system as follows:
```python
import sys; print(sys.version)
import platform; print(platform.python_imp…
veghp updated
2 weeks ago
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### Model
MAIP distillation: antimalarial potential prediction - eos2gth
### Molecules
CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C
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### Model
MAIP distillation: antimalarial potential prediction - eos2gth
### Molecules
CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C