Problem calling inference.py

[xavgit]

Hi,
I've installed DiffDock using the following:
git clone https://github.com/gcorso/DiffDock.git
conda env create --file environment.yml
conda activate diffdock

When I run python inference.py to get the command usage I receive the following:
(diffdock) xxxx@xxxx-Predator-PHN16-71:~/sources/DiffDock$ python inference.py
Traceback (most recent call last):
File "/home/xxxx/sources/DiffDock/inference.py", line 20, in
import torch
ModuleNotFoundError: No module named 'torch'
(diffdock) xxxx@xxxx-Predator-PHN16-71:~/sources/DiffDock$ conda list
# packages in environment at /home/xxxx/anaconda3/envs/diffdock:
#
# Name Version Build Channel
_libgcc_mutex 0.1 conda_forge conda-forge
_openmp_mutex 4.5 2_gnu conda-forge
aiofiles 23.2.1 pypi_0 pypi
altair 5.4.1 pypi_0 pypi
annotated-types 0.7.0 pypi_0 pypi
anyio 4.6.2.post1 pypi_0 pypi
asttokens 2.4.1 pyhd8ed1ab_0 conda-forge
attrs 24.2.0 pypi_0 pypi
biopython 1.84 py39hd3abc70_0 conda-forge
brotli 1.1.0 hb9d3cd8_2 conda-forge
brotli-bin 1.1.0 hb9d3cd8_2 conda-forge
brotli-python 1.1.0 py39hf88036b_2 conda-forge
bzip2 1.0.8 h4bc722e_7 conda-forge
ca-certificates 2024.8.30 hbcca054_0 conda-forge
certifi 2024.8.30 pyhd8ed1ab_0 conda-forge
cffi 1.17.1 py39h15c3d72_0 conda-forge
charset-normalizer 3.4.0 pyhd8ed1ab_0 conda-forge
click 8.1.7 pypi_0 pypi
contourpy 1.3.0 py39h74842e3_2 conda-forge
cycler 0.12.1 pyhd8ed1ab_0 conda-forge
exceptiongroup 1.2.2 pypi_0 pypi
executing 2.1.0 pyhd8ed1ab_0 conda-forge
fastapi 0.115.5 pypi_0 pypi
ffmpy 0.4.0 pypi_0 pypi
filelock 3.16.1 pypi_0 pypi
fonttools 4.54.1 py39h9399b63_1 conda-forge
freetype 2.12.1 h267a509_2 conda-forge
fsspec 2024.10.0 pypi_0 pypi
gradio 3.50.2 pypi_0 pypi
gradio-client 0.6.1 pypi_0 pypi
h11 0.14.0 pypi_0 pypi
h2 4.1.0 pyhd8ed1ab_0 conda-forge
hpack 4.0.0 pyh9f0ad1d_0 conda-forge
httpcore 1.0.6 pypi_0 pypi
httpx 0.27.2 pypi_0 pypi
huggingface-hub 0.26.2 pypi_0 pypi
hyperframe 6.0.1 pyhd8ed1ab_0 conda-forge
idna 3.10 pyhd8ed1ab_0 conda-forge
importlib-resources 6.4.5 pyhd8ed1ab_0 conda-forge
importlib_resources 6.4.5 pyhd8ed1ab_0 conda-forge
jinja2 3.1.4 pypi_0 pypi
jsonschema 4.23.0 pypi_0 pypi
jsonschema-specifications 2024.10.1 pypi_0 pypi
kiwisolver 1.4.7 py39h74842e3_0 conda-forge
lcms2 2.16 hb7c19ff_0 conda-forge
ld_impl_linux-64 2.43 h712a8e2_2 conda-forge
lerc 4.0.0 h27087fc_0 conda-forge
libblas 3.9.0 25_linux64_openblas conda-forge
libbrotlicommon 1.1.0 hb9d3cd8_2 conda-forge
libbrotlidec 1.1.0 hb9d3cd8_2 conda-forge
libbrotlienc 1.1.0 hb9d3cd8_2 conda-forge
libcblas 3.9.0 25_linux64_openblas conda-forge
libdeflate 1.22 hb9d3cd8_0 conda-forge
libffi 3.4.2 h7f98852_5 conda-forge
libgcc 14.2.0 h77fa898_1 conda-forge
libgcc-ng 14.2.0 h69a702a_1 conda-forge
libgfortran 14.2.0 h69a702a_1 conda-forge
libgfortran-ng 14.2.0 h69a702a_1 conda-forge
libgfortran5 14.2.0 hd5240d6_1 conda-forge
libgomp 14.2.0 h77fa898_1 conda-forge
libjpeg-turbo 3.0.0 hd590300_1 conda-forge
liblapack 3.9.0 25_linux64_openblas conda-forge
libnsl 2.0.1 hd590300_0 conda-forge
libopenblas 0.3.28 pthreads_h94d23a6_1 conda-forge
libpng 1.6.44 hadc24fc_0 conda-forge
libsqlite 3.47.0 hadc24fc_1 conda-forge
libstdcxx 14.2.0 hc0a3c3a_1 conda-forge
libstdcxx-ng 14.2.0 h4852527_1 conda-forge
libtiff 4.7.0 he137b08_1 conda-forge
libuuid 2.38.1 h0b41bf4_0 conda-forge
libwebp-base 1.4.0 hd590300_0 conda-forge
libxcb 1.17.0 h8a09558_0 conda-forge
libxcrypt 4.4.36 hd590300_1 conda-forge
libzlib 1.3.1 hb9d3cd8_2 conda-forge
markupsafe 2.1.5 pypi_0 pypi
matplotlib-base 3.9.2 py39h16632d1_2 conda-forge
munkres 1.1.4 pyh9f0ad1d_0 conda-forge
narwhals 1.13.5 pypi_0 pypi
ncurses 6.5 he02047a_1 conda-forge
numpy 1.26.4 py39h474f0d3_0 conda-forge
openjpeg 2.5.2 h488ebb8_0 conda-forge
openssl 3.4.0 hb9d3cd8_0 conda-forge
orjson 3.10.11 pypi_0 pypi
packaging 24.2 pyhd8ed1ab_0 conda-forge
pandas 2.2.3 pypi_0 pypi
pillow 10.4.0 pypi_0 pypi
pip 24.3.1 pyh8b19718_0 conda-forge
prody 2.2.0 py39h5a03fae_1 conda-forge
pthread-stubs 0.4 hb9d3cd8_1002 conda-forge
pycparser 2.22 pyhd8ed1ab_0 conda-forge
pydantic 2.9.2 pypi_0 pypi
pydantic-core 2.23.4 pypi_0 pypi
pydub 0.25.1 pypi_0 pypi
pygments 2.18.0 pyhd8ed1ab_0 conda-forge
pyparsing 3.2.0 pyhd8ed1ab_1 conda-forge
pysocks 1.7.1 pyha2e5f31_6 conda-forge
python 3.9.18 h0755675_1_cpython conda-forge
python-dateutil 2.9.0 pyhd8ed1ab_0 conda-forge
python-devtools 0.12.2 pyhd8ed1ab_0 conda-forge
python-multipart 0.0.17 pypi_0 pypi
python_abi 3.9 5_cp39 conda-forge
pytz 2024.2 pypi_0 pypi
pyyaml 6.0.2 pypi_0 pypi
qhull 2020.2 h434a139_5 conda-forge
readline 8.2 h8228510_1 conda-forge
referencing 0.35.1 pypi_0 pypi
requests 2.32.3 pyhd8ed1ab_0 conda-forge
rpds-py 0.21.0 pypi_0 pypi
scipy 1.12.0 py39h474f0d3_2 conda-forge
semantic-version 2.10.0 pypi_0 pypi
setuptools 69.5.1 pyhd8ed1ab_0 conda-forge
six 1.16.0 pyh6c4a22f_0 conda-forge
sniffio 1.3.1 pypi_0 pypi
starlette 0.41.2 pypi_0 pypi
tk 8.6.13 noxft_h4845f30_101 conda-forge
tqdm 4.67.0 pypi_0 pypi
typing-extensions 4.12.2 pypi_0 pypi
tzdata 2024.2 pypi_0 pypi
unicodedata2 15.1.0 py39h8cd3c5a_1 conda-forge
urllib3 2.2.3 pyhd8ed1ab_0 conda-forge
uvicorn 0.32.0 pypi_0 pypi
websockets 11.0.3 pypi_0 pypi
wheel 0.45.0 pyhd8ed1ab_0 conda-forge
xorg-libxau 1.0.11 hb9d3cd8_1 conda-forge
xorg-libxdmcp 1.1.5 hb9d3cd8_0 conda-forge
xz 5.2.6 h166bdaf_0 conda-forge
zipp 3.21.0 pyhd8ed1ab_0 conda-forge
zstandard 0.23.0 py39h08a7858_1 conda-forge
zstd 1.5.6 ha6fb4c9_0 conda-forge

(diffdock) xxxx@xxxx-Predator-PHN16-71:~/sources/DiffDock$ conda list | grep torch

It seems that pytorch has not been installed.
Any suggestions?

Thanks.

Saverio