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PocketConditioning not exported #413

Description

@EricDeveaud

Hello,

esm/utils/structure/input_builder.py defines the follwing clases

class Modification:
class ProteinInput:
class RNAInput:
class DNAInput:
class LigandInput:
class DistogramConditioning:
class PocketConditioning:
class CovalentBond:
class StructurePredictionInput:

unless other classes from input_builder.py PocketConditioning is not available by from import esm.models.esmfold2 class PocketConditioning:

>>> from esm.models.esmfold2 import DistogramConditioning
>>> from esm.models.esmfold2 import Modification
>>> from esm.models.esmfold2 import ProteinInput
>>> from esm.models.esmfold2 import RNAInput
>>> from esm.models.esmfold2 import DNAInput
>>> from esm.models.esmfold2 import LigandInput
>>> from esm.models.esmfold2 import DistogramConditioning
>>> from esm.models.esmfold2 import CovalentBond
>>> from esm.models.esmfold2 import StructurePredictionInput
>>> from esm.models.esmfold2 import PocketConditioning
Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
ImportError: cannot import name 'PocketConditioning' from 'esm.models.esmfold2' (/opt/gensoft/exe/ESMFold2/3.4.1.post1/venv/lib/python3.12/site-packages/esm/models/esmfold2/__init__.py)

seems PocketConditioning is missing from esm/models/esmfold2/types.py and esm/models/esmfold2/__init__.py

regards

Eric

Activity

  1. faustomilletari commented on Sep 25, 2026

    @faustomilletari
    Collaborator

    Hello,

    this seems to be a bug in what we export in init.

    please use from esm.utils.structure.input_builder import PocketConditioning

    We are going to fix it in the next release.

  2. faustomilletari commented on Sep 25, 2026

    @faustomilletari
    Collaborator

    Hello, I have been just informed that PocketConditioning is not supported in current checkpoints. We are updating the code to make it fail more gracefully

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