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Tags: Computational chemistry

1.kexinhuang12345 / DeepPurpose

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

drug-repurposing
deep-learning
drug-target-interactions
toolkit
covid19
virtual-screening
+13 more

Jupyter Notebook BSD-3-CLAUSE1.2K total307 forks

+2 stars

from 1,199 · score 1.10

2.3dmol / 3Dmol.js

WebGL accelerated JavaScript molecular graphics library

molecular-graphics
molecular-modeling
computational-biology
computational-chemistry

Jupyter Notebook Other license1K total229 forks

+2 stars

from 1,034 · score 1.10

3.isayev / ReLeaSE

Deep Reinforcement Learning for de-novo Drug Design

deeplearning
reinforcement-learning
cheminformatics
molecular-modeling
drug-discovery
qsar

Jupyter Notebook MIT375 total135 forks

+1 stars

from 374 · score 0.69

Order: Attention Score

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Ranked by stars gained in the window. The score is the natural log of one plus that gain, so a repository's rank is exactly its star gain's rank.

score = log1p(net stars gained in the trailing T complete UTC days)

A repository is ranked only when its Star History covers every day of the window and its latest Observation is not missing.

The longest window is 180 days. Star History from the Repository Host goes back at most 180 days before the first daily record that AwesomeRepos made for the repository. A longer window needs more of these daily records first. A repository younger than the window does not rank in it.

The filters select from the same eligible repositories. A repository matches the topics when it has any of them. Total stars is the count now. Last push and creation on the Repository Host count back from the start of today (UTC). The counts beside the languages, licenses, and topics include all ranked repositories in the window. A Tag holds the repositories that have it. See Tags.

A new repository enters the index when it gains stars faster than the published admission threshold, whatever its size. A repository stays in the index after it enters. Thus an archived repository can still rank.

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