Merge pull request #130 from openkinome/doc_files

added _build for website docs
openkinome · Jan 3, 2024 · 9169461 · 9169461
2 parents b4d1942 + 39773d3
commit 9169461
Show file tree

Hide file tree

Showing 404 changed files with 247,011 additions and 4 deletions.
diff --git a/README.md b/README.md
@@ -33,13 +33,15 @@ Please be aware that this code is work in progress and is not guaranteed to prov
 
 ### Installation
 
+
 KinoML and its dependencies can be installed via conda/mamba.
 
 ```
-mamba create -n kinoml --no-default-packages
-mamba env update -n kinoml -f https://raw.githubusercontent.com/openkinome/kinoml/master/devtools/conda-envs/test_env.yaml
-conda activate kinoml
-pip install https://github.com/openkinome/kinoml/archive/master.tar.gz
+git clone https://github.com/openkinome/kinoml.git  # clone the repo
+cd kinoml  # change directory to local copy of repo
+mamba env create -n kinoml -f devtools/conda-envs/test_env.yaml
+conda activate kinoml  
+python -m pip install git+https://github.com/openkinome/kinoml.git 
 ```
 
 ### Usage

diff --git a/docs/_build/doctrees/api/kinoml/_version/index.doctree b/docs/_build/doctrees/api/kinoml/_version/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/analysis/index.doctree b/docs/_build/doctrees/api/kinoml/analysis/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/analysis/metrics/index.doctree b/docs/_build/doctrees/api/kinoml/analysis/metrics/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/analysis/plots/index.doctree b/docs/_build/doctrees/api/kinoml/analysis/plots/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/core/components/index.doctree b/docs/_build/doctrees/api/kinoml/core/components/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/core/conditions/index.doctree b/docs/_build/doctrees/api/kinoml/core/conditions/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/core/index.doctree b/docs/_build/doctrees/api/kinoml/core/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/core/ligands/index.doctree b/docs/_build/doctrees/api/kinoml/core/ligands/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/core/measurements/index.doctree b/docs/_build/doctrees/api/kinoml/core/measurements/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/core/proteins/index.doctree b/docs/_build/doctrees/api/kinoml/core/proteins/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/core/sequences/index.doctree b/docs/_build/doctrees/api/kinoml/core/sequences/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/core/systems/index.doctree b/docs/_build/doctrees/api/kinoml/core/systems/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/databases/index.doctree b/docs/_build/doctrees/api/kinoml/databases/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/databases/klifs/index.doctree b/docs/_build/doctrees/api/kinoml/databases/klifs/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/databases/pdb/index.doctree b/docs/_build/doctrees/api/kinoml/databases/pdb/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/databases/uniprot/index.doctree b/docs/_build/doctrees/api/kinoml/databases/uniprot/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/datasets/chembl/index.doctree b/docs/_build/doctrees/api/kinoml/datasets/chembl/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/datasets/core/index.doctree b/docs/_build/doctrees/api/kinoml/datasets/core/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/datasets/groups/index.doctree b/docs/_build/doctrees/api/kinoml/datasets/groups/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/datasets/index.doctree b/docs/_build/doctrees/api/kinoml/datasets/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/datasets/pkis2/index.doctree b/docs/_build/doctrees/api/kinoml/datasets/pkis2/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/datasets/torch_datasets/index.doctree b/docs/_build/doctrees/api/kinoml/datasets/torch_datasets/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/datasets/torch_geometric_datasets/index.doctree b/docs/_build/doctrees/api/kinoml/datasets/torch_geometric_datasets/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/docking/OEDocking/index.doctree b/docs/_build/doctrees/api/kinoml/docking/OEDocking/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/docking/SCHRODINGERDocking/index.doctree b/docs/_build/doctrees/api/kinoml/docking/SCHRODINGERDocking/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/docking/index.doctree b/docs/_build/doctrees/api/kinoml/docking/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/features/complexes/index.doctree b/docs/_build/doctrees/api/kinoml/features/complexes/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/features/core/index.doctree b/docs/_build/doctrees/api/kinoml/features/core/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/features/index.doctree b/docs/_build/doctrees/api/kinoml/features/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/features/ligand/index.doctree b/docs/_build/doctrees/api/kinoml/features/ligand/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/features/protein/index.doctree b/docs/_build/doctrees/api/kinoml/features/protein/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/index.doctree b/docs/_build/doctrees/api/kinoml/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/ml/index.doctree b/docs/_build/doctrees/api/kinoml/ml/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/ml/lightning_modules/index.doctree b/docs/_build/doctrees/api/kinoml/ml/lightning_modules/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/ml/tensorflow_models/index.doctree b/docs/_build/doctrees/api/kinoml/ml/tensorflow_models/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/ml/torch_geometric_models/index.doctree b/docs/_build/doctrees/api/kinoml/ml/torch_geometric_models/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/ml/torch_loops/index.doctree b/docs/_build/doctrees/api/kinoml/ml/torch_loops/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/ml/torch_models/index.doctree b/docs/_build/doctrees/api/kinoml/ml/torch_models/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/ml/torch_trees/index.doctree b/docs/_build/doctrees/api/kinoml/ml/torch_trees/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/modeling/MDAnalysisModeling/index.doctree b/docs/_build/doctrees/api/kinoml/modeling/MDAnalysisModeling/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/modeling/OEModeling/index.doctree b/docs/_build/doctrees/api/kinoml/modeling/OEModeling/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/modeling/SCHRODINGERModeling/index.doctree b/docs/_build/doctrees/api/kinoml/modeling/SCHRODINGERModeling/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/modeling/alignment/index.doctree b/docs/_build/doctrees/api/kinoml/modeling/alignment/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/modeling/index.doctree b/docs/_build/doctrees/api/kinoml/modeling/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/optimize/index.doctree b/docs/_build/doctrees/api/kinoml/optimize/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/utils/index.doctree b/docs/_build/doctrees/api/kinoml/utils/index.doctree
diff --git a/docs/_build/doctrees/api/kinoml/workflows/index.doctree b/docs/_build/doctrees/api/kinoml/workflows/index.doctree
diff --git a/docs/_build/doctrees/environment.pickle b/docs/_build/doctrees/environment.pickle
diff --git a/docs/_build/doctrees/index.doctree b/docs/_build/doctrees/index.doctree