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Quantum-inspired
- Reinforcement learning for quantum circuit design (Allan, Zhiyuan, Thomas)
- Reinforcement learning for drug discovery (Dannong)
- Approximating wave functions using transformer-…
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## Summary
Selecting records from the RepoTable creates a 0B download file
## Description
I have download functionality for a multi-arranger stage working however when I add any selections in the R…
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I tried 70000+ different pdbqt structures. Out of the 70000+ structures, 23 pdbqt structures failed to generate any log file or output file. These pdbqt files worked fine with regular Vina.
The three…
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Based on discussions from gitter https://gitter.im/usegalaxy-eu/Lobby @praveenkumarpgiindia
Does Galaxy have a tool to predict the synthetic reaction of drugs? Or to evaluate between different sy…
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Dragonn (http://kundajelab.github.io/dragonn/) is the most mature deep learning library for genomic data. Would it be possible to adapt dragonn models for drug discovery?
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This issue contains monthly updates to the ranked list of PubMed papers for curation. The full list can be found [here](https://github.com/tanayshah2/bioregistry/blob/5560dcf284f2c0309287e0a5a551e435e…
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resources:
- coursera has a specialization from UC San diego
https://www.coursera.org/specializations/drug-development-product-management#courses
- stanford had(?) a computational drug discover…
vvksh updated
3 years ago
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### Is your feature request related to a problem? Please describe.
Use the XGBoost algorithm to reduce the time of drug discovery. The data-set is present in python library chembl-webresource-client…
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[ First integrated drug discovery and development centre](https://www.youtube.com/@h3ddrugdiscoveryanddevel-ke3xc)
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Hello! Thank you for sharing your work! While studying your project, I noticed an issue with the iAF1260b dataset. In the training data, there are some overlaps between positive and negative samples. …