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Initial notes on proposed scope and definition of these VA type, based on requirements and considerations documented [here](https://docs.google.com/document/d/1J4AqGDEqyK8KAzfiowgHYKJNvzHuwHSHgkN9dleL…
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**It’s decision time on the next set of targets.**
Alice just mailed [the latest set of analogs she has shepherded through (OSM-S-291 to OSM-S-301)](http://malaria.ourexperiment.org/biological_data/1…
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e.g. the query
```SPARQL
SELECT DISTINCT ?item ?itemLabel ?_PubMed_ID
WHERE
{
?item wdt:P31 wd:Q13442814 ;
rdfs:label ?itemLabel .
OPTIONAL { ?item wdt:P698 ?_PubMed_ID. }
FIL…
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### ML-Crate Repository (Proposing new issue)
:red_circle: **Project Title**: Predicting Molecular Properties
:red_circle: **Aim**: To perform Exploratory Data Analysis (EDA) on the datasets and pre…
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In the next week or so we need to decide on OSM's synthetic targets for the next few months.
Blog post here (http://malaria.ourexperiment.org/uri/7fe) provides a summary of some of the data and some s…
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Now that Apple [deprecated OpenCL support in `osx` 10.12]() and [NVIDIA will no longer provide CUDA support for `osx` after CUDA 10.2](https://docs.nvidia.com/cuda/cuda-toolkit-release-notes/index.htm…
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As @chrisiacovella mentioned [here](https://github.com/choderalab/modelforge/issues/177), the postprocessing module should be restructured. I am opening a new issue because we should include a few add…
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Hi, a few of us at UCL CS (and further afield) have a WIP submission; I realize we're getting down to the wire and we're having a bit of a challenge finishing this this off so I wanted to share our pr…
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**Is your feature request related to a problem? Please describe.**
Using LAMMPS can be a bit of a pain.
**Describe the solution you'd like**
OpenMM is a really easy to use, Pythonic MD code that…