Peplib Generator

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This is the work of team CSU_CHINA-iDEC:

• The one model for peptide genesis

Team wiki

iDEC wiki

This program is also a team-competition work in International Directed Evolution Competition(abbr. into iDEC)

Pre-Print

Peplib Generator: In silico directed evolution and de novo generation for peptide drug powered by AlphaFold2 || Supplementary Data
Other work-related paper will be listed later

Workflow

Due to job adjustment, our work has been modified and integrated into a new pipeline for high-throughput in silico generation and screening:

• Rif sampling: by RifGen/our sampling scripts(unreleased yet)
• Scaffold generation: WeFold(unreleased yet)
• Scaffold filtering: Molpacker(unreleased yet)
• Sequence design: FastDesign/ProteinMPNN special edition edited from ProteinMPNN
• Sequence Filtering: AlphaFold2-turbo(from Peplib Generator edited from AlphaFold2, unreleased yet)

It takes 10-15 days to generate ideal 20k-100k sequences & structures.

Hardware Dependencies

• Hardware(supported SLURM)
  • CPU: >=1000 * x86-64 cores; arm64 based is not supported
  • GPU: >=10 * NVIDIA® Tesla® P100 or higher, with 16GB+ VRAM
  • RAM: 15 GB each GPU core, 4GB each CPU core
  • ROM: 500GB or higher