mirror of
https://github.com/RosettaCommons/foundry.git
synced 2026-06-04 13:24:22 +08:00
@@ -25,13 +25,28 @@
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"```\n",
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"RFD3 (backbone) → MPNN (sequence) → RF3 (validation) → RMSD comparison\n",
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"```\n",
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"---\n",
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"\n",
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"## Section 0: Installation\n",
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"\n",
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"Install the Foundry package (includes RFD3, MPNN, and RF3):\n",
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"\n",
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"```bash\n",
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"pip install 'rc-foundry[all]'\n",
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"```\n",
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"\n",
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"Download the model weights (~6GB total, takes a couple minutes):\n",
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"\n",
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"```bash\n",
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"foundry install rfd3 ligandmpnn rf3\n",
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"```\n",
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"\n",
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"---"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 13,
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"execution_count": null,
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"id": "819e8193",
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"metadata": {},
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"outputs": [],
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@@ -75,7 +90,7 @@
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"# Configure RFD3 inference\n",
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"config = RFD3InferenceConfig(\n",
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" specification={\n",
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" 'length': 15, # Generate 80-residue proteins\n",
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" 'length': 80, # Generate 80-residue proteins\n",
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" },\n",
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" diffusion_batch_size=2, # Generate 2 structures per batch\n",
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")\n",
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@@ -145,7 +160,7 @@
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},
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{
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"cell_type": "code",
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"execution_count": 5,
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"execution_count": null,
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"id": "d07ae413",
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"metadata": {},
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"outputs": [],
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@@ -236,7 +251,7 @@
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"\n",
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"\n",
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"# Initialize RF3 inference engine\n",
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"inference_engine = RF3InferenceEngine(ckpt_path='rf3_preprint_921', verbose=False)\n",
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"inference_engine = RF3InferenceEngine(ckpt_path='rf3', verbose=False)\n",
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"\n",
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"# Create input from the MPNN-designed structure (first design)\n",
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"# This re-folds the sequence to validate it adopts the intended structure\n",
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@@ -388,7 +403,7 @@
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],
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"metadata": {
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"kernelspec": {
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"display_name": "modelworks",
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"display_name": "Python 3",
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"language": "python",
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"name": "python3"
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},
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