环境所有
75.3:FIL4TG,drugprotai,CLAM,T2D,oT3To,pD3Dp
oT3To belongs to Omics2Target, package includes:pymysql,pandas, cryptography,tensorboardx
pD3Dp belongs to Pocket2Druggability,暂时没确定放在哪个
75.2: X_x (处理很多,现在处理pandas,numpy,tqdm,MDAnalysis,pymysql,pandas,cryptography,requests,biopython,pybedtools scipy matplotlib,pymol)
x_X(python 3.7,pymysql,pymol-open-source,pandas,matplotlib,tqdm cryptography,scipy
还是要Omics(conda install -c conda-forge -c bioconda \
numpy=1.21.5 \
pandas=1.4.3 \
scipy=1.7.3 \
statsmodels=0.13.2 \
pybedtools=0.9.0 \
tqdm=4.64.1 \
bedtools=2.30.0 \
-y)
75.4:D3pockets:(scipy,pymol,fire,matplotlib,nested_dict,numpy,mdtraj,networkx,biopython,openmpi(conda install -c conda-forge openmpi)mpi4py,pyclustering,sqlite3,pymysql,cuda-toolkit, pycuda,nvcc,
D3pocket2同上
X_x(Go=1.19,gcc,cudatoolkit-11.8.0