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Commit b4e74232 authored by Gustaf Ahdritz's avatar Gustaf Ahdritz
Browse files

Update README.txt

parent a76ad252
...@@ -29,9 +29,6 @@ via `conda`. For producing sequence alignments, you'll also need `jackhmmer`, ...@@ -29,9 +29,6 @@ via `conda`. For producing sequence alignments, you'll also need `jackhmmer`,
`kalign`, and the [HH-suite](https://github.com/soedinglab/hh-suite) installed `kalign`, and the [HH-suite](https://github.com/soedinglab/hh-suite) installed
on your system. Finally, some download scripts require `aria2c`. on your system. Finally, some download scripts require `aria2c`.
Note that the required version of PyTorch Lightning is 1.5.0, which has not
yet been released. Install that package from the nightly build.
For convenience, we provide a script that installs Miniconda locally, creates a For convenience, we provide a script that installs Miniconda locally, creates a
`conda` virtual environment, installs all Python dependencies, and downloads `conda` virtual environment, installs all Python dependencies, and downloads
useful resources (including DeepMind's pretrained parameters). Run: useful resources (including DeepMind's pretrained parameters). Run:
...@@ -150,8 +147,9 @@ python3 scripts/precompute_alignments.py mmcif_dir/ alignment_dir/ \ ...@@ -150,8 +147,9 @@ python3 scripts/precompute_alignments.py mmcif_dir/ alignment_dir/ \
--kalign_binary_path lib/conda/envs/openfold_venv/bin/kalign --kalign_binary_path lib/conda/envs/openfold_venv/bin/kalign
``` ```
As noted before, you can skip the `binary_path` arguments if these binaries are at `/usr/bin`. As noted before, you can skip the `binary_path` arguments if these binaries are
Expect this step to take a very long time, even for small numbers of proteins. at `/usr/bin`. Expect this step to take a very long time, even for small
numbers of proteins.
Alternatively, you can generate MSAs with the ColabFold pipeline (and templates Alternatively, you can generate MSAs with the ColabFold pipeline (and templates
with HHsearch) with: with HHsearch) with:
...@@ -217,7 +215,7 @@ The script is a thin wrapper around Python's `unittest` suite, and recognizes ...@@ -217,7 +215,7 @@ The script is a thin wrapper around Python's `unittest` suite, and recognizes
scripts/run_unit_tests.sh -v tests.test_model scripts/run_unit_tests.sh -v tests.test_model
``` ```
Certain tests require that AlphaFold be installed in the same Python Certain tests require that AlphaFold (v. 2.0.1) be installed in the same Python
environment. These run components of AlphaFold and OpenFold side by side and environment. These run components of AlphaFold and OpenFold side by side and
ensure that output activations are adequately similar. For most modules, we ensure that output activations are adequately similar. For most modules, we
target a maximum difference of `1e-4`. target a maximum difference of `1e-4`.
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