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### Model Name
Hybrid CLM
### Model Description
Leveraging molecular structure and bioactivity with chemical language models for drug design
### Slug
activity-focused molecular design generation
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### Summary
All Ersilia models have associated metadata which users often find useful to view quickly while working with these models. At present this can be achieved in a couple of different ways,…
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This design experiment will help unify molecular processing and provide for convenient handling of multiple molecular datasets.
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https://arxiv.org/abs/1704.07555
> This work introduces a method to tune a sequence-based generative model for molecular de novo design that through augmented episodic likelihood can learn to gener…
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I have been using seqfold to design oligo constructs, but have run into issues when I use degenerate bases (like in unique molecular identifiers, UMIs). Would there be a straightforward way to allow f…
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On the 2024-08-26 ontology call we discussed how we'd like to represent gene products that function as molecular sensors.
Here are some of the relevant points we touched on:
1. Gene products are…
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### Background
Can ABACUS perform Molecular Dynamics Simulation under certain restrictions?
### Describe the solution you'd like
please support it.
### Task list only for developers
- [ ] Notice …
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See https://github.com/UC-Davis-molecular-computing/scadnano/issues/993
In the Python package this just means adding a field `HelixGroup.geometry` and updating the methods `HelixGroup.to_json_seria…
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SIB curators are moving from free text annotation describing the effects of variation on protein structure and function, e.g. "reduces protein stability", "interferes with zinc binding". They have fig…
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Can chainer chemistry do molecular generation or design tasks?