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Updated README to use paths and names for new RosettaCommons RFDpoly repo
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README.md

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@@ -22,7 +22,7 @@ To download model weights:
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This software runs using apptainers. To download the associated apptainer `.sif` file, [click here](https://files.ipd.uw.edu/pub/2025_RFDpoly/SE3nv.sif)
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Equivalent setup instructions for conda are in progress.
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Once you have these files, you can follow the [design tutorial](https://github.com/andrewfavor95/polydiff/blob/main/RFDpoly_tutorial.pdf) to see various design tasks and the associated documentation/syntax.
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Once you have these files, you can follow the [design tutorial](https://github.com/RosettaCommons/RFDpoly/blob/main/RFDpoly_tutorial.pdf) to see various design tasks and the associated documentation/syntax.
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Contact [email protected] if you have trouble accessing files or hit any bugs.
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2. Navigate to the directory where you want to set up the repo, and clone it:
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```Bash
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cd $RFDPOLY_DIR
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git clone [email protected]:andrewfavor95/polydiff.git
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git clone [email protected]:RosettaCommons/RFDpoly.git
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```
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```Bash
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cd $DESIGN_DIR/
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$APPTAINER_PATH $RFDPOLY_DIR/polydiff/rf_diffusion/run_inference.py --config-name=multi_polymer \
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$APPTAINER_PATH $RFDPOLY_DIR/RFDpoly/rf_diffusion/run_inference.py --config-name=multi_polymer \
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diffuser.T=50 \
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inference.ckpt_path=$MODEL_WEIGHTS_PATH \
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inference.num_designs=1 \
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if that throws errors, then try:
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```
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$APPTAINER_PATH $RFDPOLY_DIR/polydiff/rf_diffusion/run_inference.py --config-name=multi_polymer \
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$APPTAINER_PATH $RFDPOLY_DIR/RFDpoly/rf_diffusion/run_inference.py --config-name=multi_polymer \
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diffuser.T=50 \
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inference.ckpt_path=$MODEL_WEIGHTS_PATH \
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inference.input_pdb=$RFDPOLY_DIR/polydiff/rf_diffusion/test_data/DBP035.pdb \
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inference.input_pdb=$RFDPOLY_DIR/RFDpoly/rf_diffusion/test_data/DBP035.pdb \
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inference.num_designs=3 \
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contigmap.contigs=[\'33\ 33\ 75\'] \
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contigmap.polymer_chains=[\'dna\',\'rna\',\'protein\'] \
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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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## If the example (demo) command above works, proceed to exploration of the full [design tutorial](https://github.com/RosettaCommons/RFDpoly/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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The design tutorial also is intented to provide documentation, and explain arguments in the context of their use-cases.
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