Commit 4ff60b4c authored by leswing's avatar leswing
Browse files

update mdtraj and xgboost

parent 087de431
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+2 −2
Original line number Diff line number Diff line
@@ -23,12 +23,11 @@ source activate $envname
conda install -y -q -c omnia pdbfixer=1.4
conda install -y -q -c conda-forge joblib=0.11
conda install -y -q -c conda-forge six=1.10.0
conda install -y -q -c conda-forge mdtraj=1.9.0
conda install -y -q -c conda-forge mdtraj=1.9.1
conda install -y -q -c conda-forge scikit-learn=0.19.1
conda install -y -q -c conda-forge setuptools=36.2.2
conda install -y -q -c conda-forge keras=1.2.2
conda install -y -q -c conda-forge networkx=1.11
conda install -y -q -c conda-forge xgboost=0.6a2
conda install -y -q -c conda-forge pillow=4.3.0
conda install -y -q -c conda-forge pandas=0.19.2
conda install -y -q -c conda-forge $tensorflow=1.4.0
@@ -39,3 +38,4 @@ conda install -y -q -c conda-forge zlib=1.2.11
conda install -y -q -c conda-forge requests=2.18.4
conda install -y -q -c conda-forge numpy=1.13.3
conda install -y -q -c rdkit rdkit=2017.09.1
yes | pip install xgboost==0.7.post3