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152a0911f1
* documentation for release draft start * trajectory.png * update readme to rf3-lab paths, annotate TODOs * add input_pdbs, demo.json * Update README.md example pngs * tasks pngs * Update README.md - restructure pngs and application links * Update README.md mc * Update README.md add ipynb kernel export instruction * mpnn all.ipynb * open and edit tutorial.zip * Update run_inf_tutorial.sh * remove outputs * cleanup * rename * soft code hbplus executable * rename modelforge to foundry (rfd3) README * fix: enabled running rfd3, mpnn inline * cleanup * remove todos, one remaining * clear outputs --------- Co-authored-by: Raktim Mitra <raktim@digs> Co-authored-by: Raktim Mitra <raktim@localhost> Co-authored-by: Rohith Krishna <rohith@localhost> Co-authored-by: Raktim Mitra <raktim@digs.ipd.uw.edu>
17 lines
386 B
Bash
Executable File
17 lines
386 B
Bash
Executable File
#!/bin/bash
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foundry=../../../../
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export PYTHONPATH="$foundry/src:$foundry/models/rfd3/src/"
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outdir=./na_tutorial_outputs/
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rm $outdir/*
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ckpt_path=rfd3_foundry_2025_12_01.ckpt
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python $foundry/src/foundry/inference.py ckpt_path=$ckpt_path out_dir=$outdir inputs=./na_tutorial.json n_batches=2 diffusion_batch_size=3 cleanup_virtual_atoms=True
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#some cleanup
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rm *.hb2
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rm *.pdb
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rm *.dat
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