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@sokrypton sokrypton released this 14 Sep 18:50
· 283 commits to main since this release
v1.0.6
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Learn about vigilant mode.
  • support for alphafold-multimer model = mk_afdesign_model(..., use_multimer=True)
  • support for experimentally resolved loss model.set_weights(exp_res=1)
  • support for multichain design/hallucination for fixbb, hallucination and partial protocols: model.prep_inputs(..., copies=2)
  • support to fix the sequence for certain positions model.prep_inputs(..., fix_pos="1-10") (supported in protocols "fixbb" and "partial")
  • binder protocol improved, prior protocol would try to optimize number of contacts per target, new default is to optimize number of contacts per binder position. Number of contacts per binder position can be controlled with model.set_opt("i_con",num=1) and number of positions that should be contact with model.set_opt("i_con",num_pos=5)
  • implementing David Jones'-like protocol for semi-greedy optimization, where positions are selected based on plddt, and after 20 tries, the mutation that decreasing loss the most is accepted. model.design_semigreedy()
  • WARNING: the returned pLDDT is now in the "correct" direction (higher is better)
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