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Update README with multi_polymer config note
Added note about using the multi_polymer config for consistency.
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README.md

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@@ -93,6 +93,7 @@ cd $DESIGN_DIR/
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$APPTAINER_PATH $RFDPOLY_DIR/polydiff/rf_diffusion/run_inference.py --config-name=multi_polymer \
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diffuser.T=50 \
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inference.ckpt_path=$MODEL_WEIGHTS_PATH \
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inference.num_designs=1 \
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contigmap.contigs=[\'33\ 33\ 75\'] \
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contigmap.polymer_chains=[\'dna\',\'rna\',\'protein\'] \
@@ -106,6 +107,7 @@ if that throws errors, then try:
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```
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$APPTAINER_PATH $RFDPOLY_DIR/polydiff/rf_diffusion/run_inference.py --config-name=multi_polymer \
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diffuser.T=50 \
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inference.ckpt_path=$MODEL_WEIGHTS_PATH \
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inference.input_pdb=$RFDPOLY_DIR/polydiff/rf_diffusion/test_data/DBP035.pdb \
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inference.num_designs=3 \
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contigmap.contigs=[\'33\ 33\ 75\'] \
@@ -117,7 +119,7 @@ inference.output_prefix=$DESIGN_DIR/test_outputs/basic_uncond_test01
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explanation: model initialization searches for an input pdb filepath, even if you aren't performing motif scaffolding. Providing a (real) dummy filepath will fix this is the default search paths are unsuccessful.
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**Expected output:** a three chain .pdb file, containing a complex of DNA (chain A), RNA (chain B), and protein (chain C).
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**NOTE:** using the `--config-name=multi_polymer` specification is the best way to ensure that all settings work together as expected, and are consistent with the behavior reported in the manuscript.
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## If the example (demo) command above works, proceed to exploration of the full [design tutorial](https://github.com/andrewfavor95/polydiff/blob/main/RFDpoly_tutorial.pdf).
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The full design tutorial contains many inference commands for the types of designs reported in the RFDpoly paper.

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