代码】Multi"/>
【运行代码】Multi
运行代码的时候出现了很多的错误“Multi-objective Optimization by Learning Space Partitions”
此处记录conda环境是什么
# packages in environment at /home/mapengsen/anaconda3/envs/unimol38:
#
# Name Version Build Channel
_libgcc_mutex 0.1 conda_forge conda-forge
_openmp_mutex 4.5 2_gnu conda-forge
absl-py 1.4.0 pypi_0 pypi
aiohttp 3.8.4 pypi_0 pypi
aiosignal 1.3.1 pypi_0 pypi
alabaster 0.7.13 pypi_0 pypi
alsa-lib 1.2.8 h166bdaf_0 conda-forge
anyio 3.7.1 pyhd8ed1ab_0 conda-forge
anykeystore 0.2 pypi_0 pypi
apex 0.9.10.dev0 pypi_0 pypi
appdirs 1.4.4 pyh9f0ad1d_0 conda-forge
argon2-cffi 21.3.0 pyhd8ed1ab_0 conda-forge
argon2-cffi-bindings 21.2.0 py38h0a891b7_3 conda-forge
arrow 1.2.3 pyhd8ed1ab_0 conda-forge
asttokens 2.2.1 pyhd8ed1ab_0 conda-forge
astunparse 1.6.3 pypi_0 pypi
async-lru 2.0.4 pyhd8ed1ab_0 conda-forge
async-timeout 4.0.2 pypi_0 pypi
attr 2.5.1 h166bdaf_1 conda-forge
attrs 23.1.0 pyh71513ae_1 conda-forge
babel 2.12.1 pyhd8ed1ab_1 conda-forge
backcall 0.2.0 pyh9f0ad1d_0 conda-forge
backports 1.0 pyhd8ed1ab_3 conda-forge
backports.functools_lru_cache 1.6.5 pyhd8ed1ab_0 conda-forge
beautifulsoup4 4.12.2 pyha770c72_0 conda-forge
bleach 6.0.0 pyhd8ed1ab_0 conda-forge
blinker 1.7.0 pypi_0 pypi
botorch 0.4.0 pypi_0 pypi
brotli-python 1.0.9 py38hfa26641_9 conda-forge
bzip2 1.0.8 h7f98852_4 conda-forge
ca-certificates 2023.7.22 hbcca054_0 conda-forge
cached-property 1.5.2 hd8ed1ab_1 conda-forge
cached_property 1.5.2 pyha770c72_1 conda-forge
cairo 1.16.0 hbbf8b49_1016 conda-forge
certifi 2023.7.22 pyhd8ed1ab_0 conda-forge
cffi 1.15.1 py38h4a40e3a_3 conda-forge
charset-normalizer 3.1.0 pypi_0 pypi
chemprop 1.2.0 pypi_0 pypi
click 8.1.7 pypi_0 pypi
cloudpickle 3.0.0 pypi_0 pypi
cma 3.3.0 pypi_0 pypi
cmake 3.26.3 pypi_0 pypi
colorama 0.4.6 pyhd8ed1ab_0 conda-forge
comm 0.1.4 pyhd8ed1ab_0 conda-forge
contextlib2 21.6.0 pypi_0 pypi
contourpy 1.1.0 pypi_0 pypi
cryptacular 1.6.2 pypi_0 pypi
cudatoolkit 11.8.0 h4ba93d1_12 conda-forge
cycler 0.11.0 pypi_0 pypi
cython 3.0.5 pypi_0 pypi
dbus 1.13.6 h5008d03_3 conda-forge
debugpy 1.6.7.post1 pypi_0 pypi
decorator 5.1.1 pyhd8ed1ab_0 conda-forge
deepspeed 0.9.5 pypi_0 pypi
defusedxml 0.7.1 pyhd8ed1ab_0 conda-forge
descriptastorus 2.4.2 pypi_0 pypi
docstring-parser 0.15 pypi_0 pypi
docutils 0.20.1 pypi_0 pypi
entrypoints 0.4 pyhd8ed1ab_0 conda-forge
exceptiongroup 1.1.2 pyhd8ed1ab_0 conda-forge
executing 1.2.0 pyhd8ed1ab_0 conda-forge
expat 2.5.0 hcb278e6_1 conda-forge
filelock 3.11.0 pypi_0 pypi
flask 3.0.0 pypi_0 pypi
flit-core 3.9.0 pyhd8ed1ab_0 conda-forge
font-ttf-dejavu-sans-mono 2.37 hab24e00_0 conda-forge
font-ttf-inconsolata 3.000 h77eed37_0 conda-forge
font-ttf-source-code-pro 2.038 h77eed37_0 conda-forge
font-ttf-ubuntu 0.83 hab24e00_0 conda-forge
fontconfig 2.14.2 h14ed4e7_0 conda-forge
fonts-conda-ecosystem 1 0 conda-forge
fonts-conda-forge 1 0 conda-forge
fonttools 4.42.0 pypi_0 pypi
fqdn 1.5.1 pyhd8ed1ab_0 conda-forge
freetype 2.12.1 hca18f0e_1 conda-forge
frozenlist 1.3.3 pypi_0 pypi
fsspec 2023.6.0 pypi_0 pypi
future 0.18.3 pypi_0 pypi
gettext 0.21.1 h27087fc_0 conda-forge
glib 2.76.4 hfc55251_0 conda-forge
glib-tools 2.76.4 hfc55251_0 conda-forge
gmp 6.2.1 h58526e2_0 conda-forge
gmpy2 2.1.2 py38h793c122_1 conda-forge
gpytorch 1.5.1 pypi_0 pypi
graphite2 1.3.13 h58526e2_1001 conda-forge
greenlet 2.0.2 pypi_0 pypi
gst-plugins-base 1.22.3 he621ea3_0
gstreamer 1.22.3 h5eee18b_0
harfbuzz 7.3.0 hdb3a94d_0 conda-forge
hgraph2graph 0.0.0 dev_0 <develop>
hjson 3.1.0 pypi_0 pypi
hupper 1.12 pypi_0 pypi
hyperopt 0.2.7 pypi_0 pypi
icu 72.1 hcb278e6_0 conda-forge
idna 3.4 pyhd8ed1ab_0 conda-forge
imagesize 1.4.1 pypi_0 pypi
importlib-metadata 6.8.0 pyha770c72_0 conda-forge
importlib_metadata 6.8.0 hd8ed1ab_0 conda-forge
importlib_resources 6.0.1 pyhd8ed1ab_0 conda-forge
ipykernel 6.25.1 pyh71e2992_0 conda-forge
ipython 8.12.2 pypi_0 pypi
ipython-genutils 0.2.0 pypi_0 pypi
ipython_genutils 0.2.0 py_1 conda-forge
ipywidgets 7.0.0 pypi_0 pypi
isoduration 20.11.0 pyhd8ed1ab_0 conda-forge
itsdangerous 2.1.2 pypi_0 pypi
jaxtyping 0.2.9 0 gpytorch
jedi 0.19.0 pyhd8ed1ab_0 conda-forge
jinja2 3.1.2 pyhd8ed1ab_1 conda-forge
joblib 1.2.0 pypi_0 pypi
json5 0.9.14 pyhd8ed1ab_0 conda-forge
jsonpointer 2.4 pypi_0 pypi
jsonschema 4.19.0 pyhd8ed1ab_0 conda-forge
jsonschema-specifications 2023.7.1 pyhd8ed1ab_0 conda-forge
jsonschema-with-format-nongpl 4.19.0 pyhd8ed1ab_0 conda-forge
jupyter 1.0.0 py38h578d9bd_8 conda-forge
jupyter-core 5.3.1 pypi_0 pypi
jupyter-lsp 2.2.0 pyhd8ed1ab_0 conda-forge
jupyter_client 8.3.0 pyhd8ed1ab_0 conda-forge
jupyter_console 6.6.3 pyhd8ed1ab_0 conda-forge
jupyter_core 4.12.0 py38h578d9bd_0 conda-forge
jupyter_events 0.7.0 pyhd8ed1ab_2 conda-forge
jupyter_server 2.7.0 pyhd8ed1ab_0 conda-forge
jupyter_server_terminals 0.4.4 pyhd8ed1ab_1 conda-forge
jupyterlab 4.0.4 pyhd8ed1ab_0 conda-forge
jupyterlab_pygments 0.2.2 pyhd8ed1ab_0 conda-forge
jupyterlab_server 2.24.0 pyhd8ed1ab_0 conda-forge
jupyterlab_widgets 3.0.8 pyhd8ed1ab_0 conda-forge
keyutils 1.6.1 h166bdaf_0 conda-forge
kiwisolver 1.4.4 pypi_0 pypi
krb5 1.20.1 h81ceb04_0 conda-forge
lame 3.100 h166bdaf_1003 conda-forge
ld_impl_linux-64 2.40 h41732ed_0 conda-forge
libabseil 20230802.1 cxx17_h59595ed_0 conda-forge
libblas 3.9.0 17_linux64_openblas conda-forge
libcap 2.69 h0f662aa_0 conda-forge
libcblas 3.9.0 17_linux64_openblas conda-forge
libclang 16.0.6 default_h1cdf331_1 conda-forge
libclang13 16.0.6 default_h4d60ac6_1 conda-forge
libcups 2.3.3 h36d4200_3 conda-forge
libedit 3.1.20191231 he28a2e2_2 conda-forge
libevent 2.1.12 hf998b51_1 conda-forge
libexpat 2.5.0 hcb278e6_1 conda-forge
libffi 3.4.2 h7f98852_5 conda-forge
libflac 1.4.3 h59595ed_0 conda-forge
libgcc-ng 13.1.0 he5830b7_0 conda-forge
libgcrypt 1.10.1 h166bdaf_0 conda-forge
libgfortran-ng 13.1.0 h69a702a_0 conda-forge
libgfortran5 13.1.0 h15d22d2_0 conda-forge
libglib 2.76.4 hebfc3b9_0 conda-forge
libgomp 13.1.0 he5830b7_0 conda-forge
libgpg-error 1.47 h71f35ed_0 conda-forge
libiconv 1.17 h166bdaf_0 conda-forge
libjpeg-turbo 2.1.5.1 h0b41bf4_0 conda-forge
liblapack 3.9.0 17_linux64_openblas conda-forge
libllvm16 16.0.6 h5cf9203_2 conda-forge
libnsl 2.0.0 h7f98852_0 conda-forge
libogg 1.3.5 h27cfd23_1
libopenblas 0.3.23 pthreads_h80387f5_0 conda-forge
libopus 1.3.1 h7f98852_1 conda-forge
libpng 1.6.39 h753d276_0 conda-forge
libpq 15.3 hbcd7760_1 conda-forge
libprotobuf 4.24.4 hf27288f_0 conda-forge
libsndfile 1.2.0 hb75c966_0 conda-forge
libsodium 1.0.18 h36c2ea0_1 conda-forge
libsqlite 3.42.0 h2797004_0 conda-forge
libstdcxx-ng 13.1.0 hfd8a6a1_0 conda-forge
libsystemd0 254 h3516f8a_0 conda-forge
libuuid 2.38.1 h0b41bf4_0 conda-forgelibxcb 1.15 h0b41bf4_0 conda-forge
libxkbcommon 1.5.0 h5d7e998_3 conda-forge
libxml2 2.11.5 h0d562d8_0 conda-forge
libzlib 1.2.13 hd590300_5 conda-forge
lightning-utilities 0.8.0 pypi_0 pypi
linear-operator 0.5.2 pypi_0 pypi
linear_operator 0.5.1 0 gpytorch
lit 16.0.1 pypi_0 pypi
lmdb 1.4.1 pypi_0 pypi
lz4-c 1.9.4 hcb278e6_0 conda-forge
markupsafe 2.1.2 pypi_0 pypi
matplotlib 3.7.2 pypi_0 pypi
matplotlib-inline 0.1.6 pyhd8ed1ab_0 conda-forge
mdtraj 1.9.9 pypi_0 pypi
mistune 3.0.1 pypi_0 pypi
ml-collections 0.1.1 pypi_0 pypi
mpc 1.3.1 hfe3b2da_0 conda-forge
mpfr 4.2.1 h9458935_0 conda-forge
mpg123 1.31.3 hcb278e6_0 conda-forge
mpmath 1.3.0 pyhd8ed1ab_0 conda-forge
multidict 6.0.4 pypi_0 pypi
multipledispatch 1.0.0 pypi_0 pypi
mypy-extensions 1.0.0 pypi_0 pypi
mysql-common 8.0.33 hf1915f5_2 conda-forge
mysql-libs 8.0.33 hca2cd23_2 conda-forge
nb_conda 2.2.1 unix_6 conda-forge
nb_conda_kernels 2.3.1 py38h578d9bd_2 conda-forge
nbclient 0.8.0 pyhd8ed1ab_0 conda-forge
nbconvert 7.7.3 pyhd8ed1ab_0 conda-forge
nbconvert-core 7.7.3 pyhd8ed1ab_0 conda-forge
nbconvert-pandoc 7.7.3 pyhd8ed1ab_0 conda-forge
nbformat 5.9.2 pyhd8ed1ab_0 conda-forge
ncurses 6.4 hcb278e6_0 conda-forge
nest-asyncio 1.5.7 pypi_0 pypi
networkx 3.1 pypi_0 pypi
nglview 3.0.6 pyhba93850_0 conda-forge
ninja 1.11.1 pypi_0 pypi
nomkl 1.0 h5ca1d4c_0 conda-forge
notebook 7.0.2 pyhd8ed1ab_0 conda-forge
notebook-shim 0.2.3 pyhd8ed1ab_0 conda-forge
nspr 4.35 h27087fc_0 conda-forge
nss 3.89 he45b914_0 conda-forge
numpy 1.22.4 pypi_0 pypi
nvidia-cublas-cu11 11.10.3.66 pypi_0 pypi
nvidia-cuda-cupti-cu11 11.7.101 pypi_0 pypi
nvidia-cuda-nvrtc-cu11 11.7.99 pypi_0 pypi
nvidia-cuda-runtime-cu11 11.7.99 pypi_0 pypi
nvidia-cudnn-cu11 8.5.0.96 pypi_0 pypi
nvidia-cufft-cu11 10.9.0.58 pypi_0 pypi
nvidia-curand-cu11 10.2.10.91 pypi_0 pypi
nvidia-cusolver-cu11 11.4.0.1 pypi_0 pypi
nvidia-cusparse-cu11 11.7.4.91 pypi_0 pypi
nvidia-nccl-cu11 2.14.3 pypi_0 pypi
nvidia-nvtx-cu11 11.7.91 pypi_0 pypi
oauthlib 3.2.2 pypi_0 pypi
ocl-icd 2.3.1 h7f98852_0 conda-forge
ocl-icd-system 1.0.0 1 conda-forge
openmm 8.0.0 py38hd11a18e_1 conda-forge
openopenmmreporters 0.1.0b1 py38hfeaa757_1 uibcdf/label/dev
openpharmacophore 0+untagged.471.gea8c857.dirty dev_0 <develop>
openssl 3.1.4 hd590300_0 conda-forge
opt_einsum 3.3.0 pyhc1e730c_2 conda-forge
overrides 7.4.0 pyhd8ed1ab_0 conda-forge
packaging 23.1 pyhd8ed1ab_0 conda-forge
pandas 1.3.4 pypi_0 pypi
pandas-flavor 0.6.0 pypi_0 pypi
pandoc 3.1.3 h32600fe_0 conda-forge
pandocfilters 1.5.0 pyhd8ed1ab_0 conda-forge
parso 0.8.3 pyhd8ed1ab_0 conda-forge
pastedeploy 3.0.1 pypi_0 pypi
pbkdf2 1.3 pypi_0 pypi
pcre2 10.40 hc3806b6_0 conda-forge
pexpect 4.8.0 pyh1a96a4e_2 conda-forge
pickleshare 0.7.5 py_1003 conda-forge
pillow 9.5.0 pypi_0 pypi
pint 0.21.1 pypi_0 pypi
pip 23.2.1 pyhd8ed1ab_0 conda-forge
pixman 0.40.0 h36c2ea0_0 conda-forge
pkgutil-resolve-name 1.3.10 pyhd8ed1ab_0 conda-forge
plaster 1.1.2 pypi_0 pypi
plaster-pastedeploy 1.0.1 pypi_0 pypi
platformdirs 3.10.0 pypi_0 pypi
ply 3.11 py_1 conda-forge
pooch 0.6.0 py38_0 conda-forge
prometheus_client 0.17.1 pyhd8ed1ab_0 conda-forge
prompt-toolkit 3.0.39 pyha770c72_0 conda-forge
prompt_toolkit 3.0.39 hd8ed1ab_0 conda-forge
protobuf 3.20.3 pypi_0 pypi
psutil 5.9.5 py38h1de0b5d_0 conda-forge
pthread-stubs 0.4 h36c2ea0_1001 conda-forge
ptyprocess 0.7.0 pyhd3deb0d_0 conda-forge
pulseaudio-client 16.1 hb77b528_4 conda-forge
pure_eval 0.2.2 pyhd8ed1ab_0 conda-forge
py-cpuinfo 9.0.0 pypi_0 pypi
pydantic 1.10.9 pypi_0 pypi
pygments 2.16.1 pyhd8ed1ab_0 conda-forge
pygmo 2.19.5 pypi_0 pypi
pyparsing 3.0.9 pypi_0 pypi
pyqt 5.15.9 py38hffdaa6c_4 conda-forge
pyqt5-sip 12.12.2 py38h17151c0_4 conda-forge
pyramid 2.0.1 pypi_0 pypi
pyramid-mailer 0.15.1 pypi_0 pypi
pyro-api 0.1.2 pyhd8ed1ab_0 conda-forge
pyro-ppl 1.8.6 pypi_0 pypi
pysmilesutils 1.1.0 pypi_0 pypi
pysocks 1.7.1 pyha2e5f31_6 conda-forge
python 3.8.17 he550d4f_0_cpython conda-forge
python-dateutil 2.8.2 pyhd8ed1ab_0 conda-forge
python-fastjsonschema 2.18.0 pyhd8ed1ab_0 conda-forge
python-json-logger 2.0.7 pyhd8ed1ab_0 conda-forge
python3-openid 3.2.0 pypi_0 pypi
python_abi 3.8 3_cp38 conda-forge
pytorch 2.0.0 cpu_generic_py38had2c7df_4 conda-forge
pytorch-lightning 2.0.4 pypi_0 pypi
pytz 2023.3 pyhd8ed1ab_0 conda-forge
pyunitwizard 0.9.2 py38_1 uibcdf
pyyaml 6.0 py38h0a891b7_5 conda-forge
pyzmq 25.1.1 pypi_0 pypi
qt-main 5.15.8 h01ceb2d_12 conda-forge
qtconsole 5.4.3 pyhd8ed1ab_0 conda-forge
qtconsole-base 5.4.3 pyha770c72_0 conda-forge
qtpy 2.3.1 pyhd8ed1ab_0 conda-forge
rdkit 2022.9.5 pypi_0 pypi
readline 8.2 h8228510_1 conda-forge
referencing 0.30.2 pyhd8ed1ab_0 conda-forge
regex 2023.6.3 pypi_0 pypi
reportlab 4.0.4 pypi_0 pypi
repoze-sendmail 4.4.1 pypi_0 pypi
requests 2.31.0 pyhd8ed1ab_0 conda-forge
requests-oauthlib 1.3.1 pypi_0 pypi
rfc3339-validator 0.1.4 pyhd8ed1ab_0 conda-forge
rfc3986-validator 0.1.1 pyh9f0ad1d_0 conda-forge
rpds-py 0.9.2 py38h0cc4f7c_0 conda-forge
scikit-learn 0.21.3 pypi_0 pypi
scipy 1.6.3 pypi_0 pypi
send2trash 1.8.2 pyh41d4057_0 conda-forge
setuptools 68.0.0 pyhd8ed1ab_0 conda-forge
sip 6.7.11 py38h17151c0_0 conda-forge
six 1.16.0 pyh6c4a22f_0 conda-forge
sleef 3.5.1 h9b69904_2 conda-forge
sniffio 1.3.0 pyhd8ed1ab_0 conda-forge
snowballstemmer 2.2.0 pypi_0 pypi
soupsieve 2.4.1 pypi_0 pypi
sphinx 7.1.2 pypi_0 pypi
sphinxcontrib-applehelp 1.0.4 pypi_0 pypi
sphinxcontrib-devhelp 1.0.2 pypi_0 pypi
sphinxcontrib-htmlhelp 2.0.1 pypi_0 pypi
sphinxcontrib-jsmath 1.0.1 pypi_0 pypi
sphinxcontrib-qthelp 1.0.3 pypi_0 pypi
sphinxcontrib-serializinghtml 1.1.5 pypi_0 pypi
sqlalchemy 2.0.17 pypi_0 pypi
stack_data 0.6.2 pyhd8ed1ab_0 conda-forge
sympy 1.11.1 pypi_0 pypi
tensorboard-logger 0.1.0 pypi_0 pypi
tensorboardx 2.6 pypi_0 pypi
terminado 0.17.1 pyh41d4057_0 conda-forge
threadpoolctl 3.1.0 pypi_0 pypi
tinycss2 1.2.1 pyhd8ed1ab_0 conda-forge
tk 8.6.12 h27826a3_0 conda-forge
tokenizers 0.13.3 pypi_0 pypi
toml 0.10.2 pyhd8ed1ab_0 conda-forge
tomli 2.0.1 pyhd8ed1ab_0 conda-forge
torch 1.8.2+cu111 pypi_0 pypi
torchaudio 0.8.2 pypi_0 pypi
torchmetrics 0.11.4 pypi_0 pypi
torchvision 0.9.2+cu111 pypi_0 pypi
tornado 6.3.2 py38h01eb140_0 conda-forge
tqdm 4.65.0 pypi_0 pypi
traitlets 5.9.0 pyhd8ed1ab_0 conda-forge
transaction 3.1.0 pypi_0 pypi
translationstring 1.4 pypi_0 pypi
triton 2.0.0 pypi_0 pypi
typed-argument-parser 1.8.1 pypi_0 pypi
typeguard 2.13.3 pyhd8ed1ab_0 conda-forge
typing-inspect 0.9.0 pypi_0 pypi
typing_extensions 4.7.1 pyha770c72_0 conda-forge
typing_utils 0.1.0 pyhd8ed1ab_0 conda-forge
tzdata 2023.3 pypi_0 pypi
unicore 0.0.1 pypi_0 pypi
uri-template 1.3.0 pyhd8ed1ab_0 conda-forge
urllib3 2.0.3 pypi_0 pypi
velruse 1.1.1 pypi_0 pypi
venusian 3.0.0 pypi_0 pypi
wcwidth 0.2.6 pyhd8ed1ab_0 conda-forge
webcolors 1.13 pyhd8ed1ab_0 conda-forge
webencodings 0.5.1 pypi_0 pypi
webob 1.8.7 pypi_0 pypi
websocket-client 1.6.1 pyhd8ed1ab_0 conda-forge
werkzeug 3.0.1 pypi_0 pypi
wheel 0.41.1 pyhd8ed1ab_0 conda-forge
xorg-libxau 1.0.11 hd590300_0 conda-forge
xorg-libxdmcp 1.1.3 h7f98852_0 conda-forge
xorg-libxext 1.3.4 h0b41bf4_2 conda-forge
xorg-libxrender 0.9.11 hd590300_0 conda-forge
xorg-renderproto 0.11.1 h7f98852_1002 conda-forge
xorg-xextproto 7.3.0 h0b41bf4_1003 conda-forge
xorg-xf86vidmodeproto 2.3.1 h7f98852_1002 conda-forge
xorg-xproto 7.0.31 h7f98852_1007 conda-forge
xz 5.2.6 h166bdaf_0 conda-forge
yaml 0.2.5 h7f98852_2 conda-forge
yarl 1.9.2 pypi_0 pypi
zeromq 4.3.4 h9c3ff4c_1 conda-forge
zipp 3.16.2 pyhd8ed1ab_0 conda-forge
zlib 1.2.13 hd590300_5 conda-forge
zope-deprecation 5.0 pypi_0 pypi
zope-interface 6.0 pypi_0 pypi
zope-sqlalchemy 3.0 pypi_0 pypi
zstd 1.5.2 hfc55251_7 conda-forge更多推荐
【运行代码】Multi
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