prescient-design/walk-jump
Official repository for discrete Walk-Jump Sampling (dWJS)
This tool helps computational biologists and drug discovery researchers generate new, diverse protein and large molecule sequences. By inputting existing molecular data, it outputs novel molecular designs that can be evaluated for desirable properties. It's intended for scientists who need to explore a vast space of potential molecular structures for research and development.
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Use this if you need to computationally design and sample novel protein or large molecule sequences for drug discovery or biological research.
Not ideal if you are looking for a tool to analyze small molecules or perform standard molecular dynamics simulations.
Stars
59
Forks
9
Language
JavaScript
License
Apache-2.0
Category
Last pushed
Jun 03, 2024
Commits (30d)
0
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