-
Notifications
You must be signed in to change notification settings - Fork 0
/
installation
24 lines (18 loc) · 891 Bytes
/
installation
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
#@title **Installation of the required packages and dependencies**
#@markdown Thanks to **`mamba`**, the installation takes **less than 5 mins**. \
#@markdown It will **restart** the kernel (session).
%%capture
import contextlib
with open("/content/installation.log", "w") as i:
with contextlib.redirect_stdout(i):
!pip install py3Dmol==2.0.3
!pip install pybel==0.15.5
!pip install rdkit-pypi==2022.9.5
!wget https://github.com/ccsb-scripps/AutoDock-Vina/releases/download/v1.2.0/vina_1.2.0_linux_x86_64 -O vina
!chmod u+x vina
!pip install condacolab
import condacolab
condacolab.install_mambaforge()
!mamba install -c conda-forge -c bioconda mgltools=1.5.7 biopython=1.80 \
openbabel=3.1.1 plip=2.2.2 zlib=1.2.13 xlsxwriter=3.0.3
!rm -r /content/sample_data /content/condacolab_install.log