sokrypton / sokrypton/ColabFold
Multimer error on ColabFold 1.6.0
Open
Nobody has claimed this yet.
- Dominant language
- Jupyter Notebook
- Stars
- 2.9k
- Forks
- 747
- PR merge metrics
- No merged PRs in 30d
Description
Hi,
After upgrading from ColabFold 1.5.5 to 1.6.0, I encountered a TypeError when running in multimer mode. The error does not occur in monomer mode.
Error logs:
2026-03-13 22:30:35,112 Running colabfold 1.6.0
2026-03-13 22:30:41,693 generated new fontManager
2026-03-13 22:30:42,041 Running on GPU
2026-03-13 22:30:42,180 Found 6 citations for tools or databases
2026-03-13 22:30:42,180 Query 2/1: BTB-domain_0 (length 59)
2026-03-13 22:30:42,383 Could not generate input features BTB-domain_0: Calling np.sum(generator) is deprecated.Use np.sum(np.fromiter(generator)) or the python sum builtin instead.
Traceback (most recent call last):
File "/usr/local/lib/python3.12/site-packages/colabfold/batch.py", line 1469, in run
= generate_input_feature(query_seqs_unique, query_seqs_cardinality, unpaired_msa, paired_msa,
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/colabfold/batch.py", line 931, in generate_input_feature
input_feature = process_multimer_features(features_for_chain, min_num_seq=max_seq + 4)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/colabfold/batch.py", line 850, in process_multimer_features
np_example = feature_processing.msa_pairing.merge_chain_features(
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/alphafold/data/msa_pairing.py", line 426, in merge_chain_features
np_chains_list = _merge_homomers_dense_msa(np_chains_list)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/alphafold/data/msa_pairing.py", line 391, in _merge_homomers_dense_msa
_merge_features_from_multiple_chains(chains, pair_msa_sequences=True)
File "/usr/local/lib/python3.12/site-packages/alphafold/data/msa_pairing.py", line 363, in _merge_features_from_multiple_chains
merged_example[feature_name] = np.sum(x for x in feats).astype(np.int32)
^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/numpy/_core/fromnumeric.py", line 2419, in sum
raise TypeError(
TypeError: Calling np.sum(generator) is deprecated.Use np.sum(np.fromiter(generator)) or the python sum builtin instead.
2026-03-13 22:30:42,386 Done
Command used:
colabfold_batch --jobname-prefix BTB-domain --save-all --random-seed 654321 --model-type=alphafold2_multimer_v3 --amber --use-gpu-relax sp_Q9Y2Y4_ZBT32_HUMAN_29-87_Homodimer_Zinc_finger_and_BTB_domain-containing_protein_32_OS_Homo_sapiens_OX_9606_GN_ZBTB32_PE_1_SV_1.a3m predictions
Do you have any ideas on how to solve this problem?
Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start with the multimer traceback in colabfold/batch.py, then inspect alphafold/data/msa_pairing.py at _merge_features_from_multiple_chains. Reproduce the failure with the provided colabfold_batch command in multimer mode and compare it with monomer mode. Done means the multimer run no longer raises the NumPy TypeError.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- numpy, python
- Domain
- bioinformatics, machine-learning
- Issue type
- Bug
- Difficulty
- 2/5
- Estimated time
- 1-3 hours
- Activity status
- Quiet
- Clarity
- Mostly clear
- Newbie friendliness
- 55/100