AlphaPulldown 2.0.0 beta v1
New features added:
- Refactorised the codes; introduced
folding_backend
#303 thanks for the help from @maurerv and @DimaMolod - Allow the user to pad input matrices to desired number of MSAs and desired number of residues to speed up overall modelling process and avoid unnecessary re-compiling of AlphaFold neural network.
- New way of modelling with customised structure templates without the need of recalculating the features again. #268
- Separated post-modelling processes from prediction process #297 by @DimaMolod
- Supports full mmseqs2 mode i.e. without the need of local structural template database when using mmseqs mode #233
Bugs fixed:
- Fixed incorrect colour scheme when ploting structures in jupyter-notebook #304 thanks for the help from @gchojnowski and report from @gilep
- Fixed operands broadcast error when the features are created by mmseqs2 #287 thanks for the report from @Qrouger
- Updated alpha-analysis.sif to avoid crashes when no model satisfies the cutoff value #307
- Fix the config.cfg to avoid installing tensorflow versions that are not compatible with GPUs without latest CUDA. #298 Thanks for the help from @kashyapchhatbar
Notice:
Apart from installing the beta version of alphapulldown from pypi, using pip install alphapulldown==2.0.0b1
, please re-download the alpha-analysis singularity images again.
If your results are from AlphaPulldown prior to version 1.0.0, please use the link: alpha-analysis_jax_0.3.sif
.
If your results are from AlphaPulldown with version >=1.0.0, please use the link: alpha-analysis_jax_0.4.sif
.