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In order to make the database schema more universal and less MX specific, I'd like to propose the following set of changes:
Proposed solution v1.0
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Rename these th…
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Hello everyone!
I am Yuqing, and I am currently working on the project "Perception, Comprehension and Implementation: Confidence in Communicating STEM for Early Childhood Educators". The aim of thi…
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HI Connor,
From your previous post I learned that a model can be retrained. I am unclear, however, on how to train a model from scratch or expand (augment the existing) training. Can you please exp…
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#### from @ml-evs: Please add a comment with any new suggestions, but also feel free to edit this table
| Database | Contacted | Positive response? |
|:-------------|:--------------:|:-----------…
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Some possible useful examples here: https://github.com/chrisjsewell/chrisjsewell.github.io/blob/master/3d_atomic/3D%20Atomic%20Visualisation.ipynb
See also: https://ipymd.readthedocs.io/en/latest/ …
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Hello @mattodd @edwintse,
At @ersilia-os we have tried to generate new Series 4 candidates. In short, we provide two tables:
* A list of >100k molecules obtained with a generative model: [downlo…
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Add sharding following https://jax.readthedocs.io/en/latest/notebooks/Distributed_arrays_and_automatic_parallelization.html
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Undergraduate laboratory classes at MCPHS (@MedChemProf), Haverford College (@rbroadrup-HC), Lawrence University (@sdebbert) and USyd have participated in the synthesis of OSM molecules. Additionally,…
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Here's the first round of molecules that @cstein and I found with genetic algorithms. They are roughly on order of preference based on the number of protein-ligand interactions in common with the fra…
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This issue addresses #1787
### Summary
*Hello I'm Saurabh, I'm planning to contribute to the 'The Turing Way' project in ISCAS 2021.* This issue is part of the task for the interested candidates …