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Updated CHANGELOG.md
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jscgh committed Jan 10, 2025
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3 changes: 2 additions & 1 deletion CHANGELOG.md
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Expand Up @@ -10,12 +10,13 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
- [[#177](https://github.com/nf-core/proteinfold/issues/177)] - Fix typo in some instances of model preset `alphafold2_ptm`.
- [[PR #178](https://github.com/nf-core/proteinfold/pull/178)] - Enable running multiple modes in parallel.
- [[#179](https://github.com/nf-core/proteinfold/issues/179)] - Produce an interactive html report for the predicted structures.
- [[#180](https://github.com/nf-core/proteinfold/issues/180)] - Implement Fooldseek.
- [[#180](https://github.com/nf-core/proteinfold/issues/180)] - Implement Foldseek.
- [[#188](https://github.com/nf-core/proteinfold/issues/188)] - Fix colabfold image to run in gpus.
- [[PR ##205](https://github.com/nf-core/proteinfold/pull/205)] - Change input schema from `sequence,fasta` to `id,fasta`.
- [[PR #210](https://github.com/nf-core/proteinfold/pull/210)] - Moving post-processing logic to a subworkflow, change wave images pointing to oras to point to https and refactor module to match nf-core folder structure.
- [[#214](https://github.com/nf-core/proteinfold/issues/214)] - Fix colabfold image to run in cpus after [#188](https://github.com/nf-core/proteinfold/issues/188) fix.
- [[#235](https://github.com/nf-core/proteinfold/issues/235)] - Update samplesheet to new version (switch from `sequence` column to `id`).
- [[#239](https://github.com/nf-core/proteinfold/issues/239)] - Update alphafold2 standard mode Dockerfile.

## [[1.1.1](https://github.com/nf-core/proteinfold/releases/tag/1.1.1)] - 2025-07-30

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8 changes: 4 additions & 4 deletions dockerfiles/Dockerfile_nfcore-proteinfold_alphafold2_standard
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Expand Up @@ -66,9 +66,9 @@ RUN wget -q -P /app/alphafold/alphafold/common/ \
RUN pip3 install --upgrade pip --no-cache-dir \
&& pip3 install -r /app/alphafold/requirements.txt --no-cache-dir \
&& pip3 install --upgrade --no-cache-dir \
jax==0.4.26 \
jaxlib==0.4.26+cuda12.cudnn89 \
-f https://storage.googleapis.com/jax-releases/jax_cuda_releases.html
jax==0.4.26 \
jaxlib==0.4.26+cuda12.cudnn89 \
-f https://storage.googleapis.com/jax-releases/jax_cuda_releases.html

RUN sed -i "s|alphafold/common/stereo_chemical_props.txt|/app/alphafold/alphafold/common/stereo_chemical_props.txt|g" /app/alphafold/alphafold/common/residue_constants.py

Expand All @@ -87,5 +87,5 @@ WORKDIR /app/alphafold
RUN echo $'#!/bin/bash\n\
ldconfig\n\
python /app/alphafold/run_alphafold.py "$@"' > /app/run_alphafold.sh \
&& chmod +x /app/run_alphafold.sh
&& chmod +x /app/run_alphafold.sh
ENTRYPOINT ["/app/run_alphafold.sh"]

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