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Hi, I want to build a protein-ligand system where the ligand has more than 150 atoms.
Here is my script:
```
def read protein(protein_file):
protein = pdbfile.PDBFile(protein_file)
retu…
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### **Data Cleaning and Exploration:**
**Dropping Rows (23, 24, 26, 27):** It would be helpful to understand the rationale behind dropping these specific rows before Exploratory Data Analysis (EDA)…
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In addition to the existing fields in the [Festival Structured Data templates](https://docs.google.com/document/d/1YyXX0xcYxzbzKvgvO8y0_lKC_LoQmbgn9oXC5X6t1Zs/edit), some festival organizations may al…
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> We could use some more quantitative analysis of binding free energy, like FEP (free energy perturbation). Will take a look in a few days when I have more time.
Hi, I agree. Our coll…
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### Describe the bug
The notebook for agentchat_graph_modelling_language_using_select_speaker, cant be found at https://github.com/microsoft/autogen/blob/main/notebook/agentchat_graph_modelling_lan…
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Quantification of carbon benefits related to riparian restoration - oh sick
Carbon references so far primarily in `zotero/restoration_aquatic/riparian/carbon`. To start have included:
- https://…
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We save plots using `ggplot::ggsave()` function in `trias::apply_gam()`:
https://github.com/trias-project/trias/blob/b9e68fd1ac1327eccb54ec0482a76f3f99f9859d/R/apply_gam.R#L743C5-L743C52
However, …
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Prior built-up is used as a constraint, and dynamic suitability factors are being used, but density plots show staggered increases in built-up land.
Density plot first model version (Nigeria)
![im…
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Do nothing scenario: same as latest year but changing the populations using the population projections
Scenario: Change the input metric(s) of interest only
This way, the future scenarios aren't p…
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model coppeliasim arena to be more fun:
- [ ] add tags,
- [x] obstacles,
- [x] ambiance.