Docs: README mentions interactive `alphadynamics` mode (no args)
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README.md
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@@ -43,9 +43,23 @@ Type a peptide sequence, get an interactive Ramachandran plot in 30 seconds.
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### Use locally
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```bash
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pip install alphadynamics
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alphadynamics
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```
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Or from Python:
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### Use locally
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The simplest path — just type `alphadynamics` and answer the prompts:
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```bash
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pip install alphadynamics
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alphadynamics
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# Sequence (1-letter AA, e.g. AAAY): KLVFFAE
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# How many independent trajectories? [16]: <Enter>
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# How many timesteps per trajectory? [2500]: <Enter>
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# Device (cuda/cpu/auto) [auto]: <Enter>
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# Output file [...]: <Enter>
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# Save Ramachandran plot? [b=both, p=PNG, h=HTML, n=no] [b]: <Enter>
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```
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Or as a one-liner for power users:
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```bash
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alphadynamics predict --sequence AAAY --n-ensemble 16 --rollout-steps 2500 --plot --plot-html -o traj.npz
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```
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Or from Python:
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