Files
rosettafold-all-atom/examples/docker/docker.yaml

22 lines
430 B
YAML

defaults:
- base
checkpoint_path: /weights/RFAA_paper_weights.pt
database_params:
sequencedb: "/pdb100_2021Mar03/pdb100_2021Mar03"
hhdb: "/pdb100_2021Mar03/pdb100_2021Mar03"
command: make_msa.sh
num_cpus: 4
mem: 64
job_name: "/workdir/3fap"
protein_inputs:
A:
fasta_file: /workdir/3fap_A.fasta
B:
fasta_file: /workdir/3fap_B.fasta
sm_inputs:
C:
input: /workdir/ARD_ideal.sdf
input_type: "sdf"