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The purpose of this issue is to document a discussion around how the virtual world in LDAR-Sim produces emissions. A number of factors motivate the need for this issue:
1. Emissions from the real w…
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Here is the docking setup and report:
GPU: RTX3090
CUDA Version: 11.7
Driver Version: 515.57
receptor = protein.pdbqt
gpu_batch = lig765.pdbqt
out = lig765_result.pdbqt
center_x = 87.603
cen…
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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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https://doi.org/10.1021/acscentsci.6b00367 (preprint https://arxiv.org/abs/1611.03199)
> Recent advances in machine learning have made significant contributions to drug discovery. Deep neural netwo…
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https://arxiv.org/abs/1610.02415v1
Directly related to #52 and #53. Somewhat related to #45, #55, and #56. This preprint examines an autoencoder-based method for representing molecules with continuou…
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http://doi.org/10.1002/minf.201600045 (_edited with link_)
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| Category | Module/Application | Features |
|----------|---------------------|----------|
| Specialties | Cardiology (Cupid) | - Supports invasive and non-invasive procedures- Flexible structured r…
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```
Hello
What steps will reproduce the problem?
1. Downloading tiles (for example Virtual Earth Sat) using "Operations" "Download" for a defined area
2. The tiles that were already downloaded in t…
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```
Hello
What steps will reproduce the problem?
1. Downloading tiles (for example Virtual Earth Sat) using "Operations" "Download" for a defined area
2. The tiles that were already downloaded in t…
-
```
Hello
What steps will reproduce the problem?
1. Downloading tiles (for example Virtual Earth Sat) using "Operations" "Download" for a defined area
2. The tiles that were already downloaded in t…