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Alphafold-2.3.2 cuda 12.3

this page briefly describes a local installation of Alphafold 2.3.2 using cuda 12.3. This is the only alphafold2 installation supporting H100 GPUs.

Setup

this alphafold installation resides in /software/alphafold/2.3.2Lcu12

  • have a look at alphafold.sh and sbatch-alphafold.sh in the installation folder of a specific version
  • for alphafold 2.3.2Lcu12 there is also a module, module load maxwell alphafold/2.3.2Lcu12
  • alphafold < 2.3.2 use /data/dust/group/it/ReferenceData/alphafold as databases
  • alphafold >= 2.3.2 use /data/dust/group/it/ReferenceData/alphafold2.3 as databases

Examples

see alphafold.sh, sbatch-alphafold.sh as examples.

Installation

see alphafold 2.3