11name : nff
22channels :
3- - pytorch
43 - conda-forge
5- - defaults
6- - omnia
74dependencies :
8- - ase=3.22.1=pyhd8ed1ab_1
9- - debugpy=1.6.0=py39h5a03fae_0
10- - django=4.0=pyhd8ed1ab_0
11- - matplotlib-base=3.4.3=py39h2fa2bec_2
12- - matplotlib-inline=0.1.3=pyhd8ed1ab_0
13- - numpy=1.22.4=py39hc58783e_0
14- - openbabel=3.1.1=py39hee2736e_3
15- - pandas=1.4.2=py39h1832856_2
16- - pip=22.1.1=pyhd8ed1ab_0
17- - plotly=5.8.0=pyhd8ed1ab_1
18- - pre-commit
19- - py=1.10.0=pyhd3deb0d_0
20- - pymatgen=2022.5.26=py39hf939315_0
21- - pyyaml=6.0=py39hb9d737c_4
22- - scikit-learn=1.1.1=py39h4037b75_0
23- - scipy=1.8.1=py39he49c0e8_0
24- - setuptools=62.3.2=py39hf3d152e_0
25- - sqlite=3.38.5=h4ff8645_0
26- - sympy=1.10.1=py39hf3d152e_0
27- - toml=0.10.2=pyhd8ed1ab_0
28- - torchaudio=0.11.0=py39_cu113
29- - torchvision=0.12.0=py39_cu113
30- - tqdm=4.64.0=pyhd8ed1ab_0
31- - typing_extensions=4.2.0=pyha770c72_1
32- - wheel=0.37.1=pyhd8ed1ab_0
33- - yaml=0.2.5=h7f98852_2
5+ - _libgcc_mutex=0.1=conda_forge
6+ - _openmp_mutex=4.5=2_gnu
7+ - boost=1.74.0=py39h5472131_5
8+ - boost-cpp=1.74.0=h75c5d50_8
9+ - bzip2=1.0.8=h4bc722e_7
10+ - ca-certificates=2024.7.4=hbcca054_0
11+ - cairo=1.16.0=ha61ee94_1012
12+ - expat=2.6.2=h59595ed_0
13+ - font-ttf-dejavu-sans-mono=2.37=hab24e00_0
14+ - font-ttf-inconsolata=3.000=h77eed37_0
15+ - font-ttf-source-code-pro=2.038=h77eed37_0
16+ - font-ttf-ubuntu=0.83=h77eed37_2
17+ - fontconfig=2.14.2=h14ed4e7_0
18+ - fonts-conda-ecosystem=1=0
19+ - fonts-conda-forge=1=0
20+ - freetype=2.12.1=h267a509_2
21+ - icu=70.1=h27087fc_0
22+ - lcms2=2.15=haa2dc70_1
23+ - ld_impl_linux-64=2.40=hf3520f5_7
24+ - lerc=4.0.0=h27087fc_0
25+ - libblas=3.9.0=23_linux64_openblas
26+ - libcblas=3.9.0=23_linux64_openblas
27+ - libdeflate=1.18=h0b41bf4_0
28+ - libexpat=2.6.2=h59595ed_0
29+ - libffi=3.4.2=h7f98852_5
30+ - libgcc-ng=14.1.0=h77fa898_0
31+ - libgfortran-ng=14.1.0=h69a702a_0
32+ - libgfortran5=14.1.0=hc5f4f2c_0
33+ - libglib=2.80.3=h315aac3_2
34+ - libgomp=14.1.0=h77fa898_0
35+ - libiconv=1.17=hd590300_2
36+ - libjpeg-turbo=2.1.5.1=hd590300_1
37+ - liblapack=3.9.0=23_linux64_openblas
38+ - libnsl=2.0.1=hd590300_0
39+ - libopenblas=0.3.27=pthreads_hac2b453_1
40+ - libpng=1.6.43=h2797004_0
41+ - libsqlite=3.46.0=hde9e2c9_0
42+ - libstdcxx-ng=14.1.0=hc0a3c3a_0
43+ - libtiff=4.5.1=h8b53f26_1
44+ - libuuid=2.38.1=h0b41bf4_0
45+ - libwebp-base=1.4.0=hd590300_0
46+ - libxcb=1.13=h7f98852_1004
47+ - libxcrypt=4.4.36=hd590300_1
48+ - libzlib=1.3.1=h4ab18f5_1
49+ - ncurses=6.5=h59595ed_0
50+ - numpy=1.26.4=py39h474f0d3_0
51+ - openjpeg=2.5.0=hfec8fc6_2
52+ - openssl=3.3.1=h4bc722e_2
53+ - pcre2=10.44=hba22ea6_2
54+ - pixman=0.43.2=h59595ed_0
55+ - pthread-stubs=0.4=h36c2ea0_1001
56+ - pycairo=1.25.0=py39hc92de75_1
57+ - python=3.9.19=h0755675_0_cpython
58+ - python-tzdata=2024.1=pyhd8ed1ab_0
59+ - python_abi=3.9=4_cp39
60+ - pytz=2024.1=pyhd8ed1ab_0
61+ - readline=8.2=h8228510_1
62+ - setuptools=72.1.0=pyhd8ed1ab_0
63+ - six=1.16.0=pyh6c4a22f_0
64+ - tk=8.6.13=noxft_h4845f30_101
65+ - tzdata=2024a=h0c530f3_0
66+ - wheel=0.44.0=pyhd8ed1ab_0
67+ - xorg-kbproto=1.0.7=h7f98852_1002
68+ - xorg-libice=1.1.1=hd590300_0
69+ - xorg-libsm=1.2.4=h7391055_0
70+ - xorg-libx11=1.8.4=h0b41bf4_0
71+ - xorg-libxau=1.0.11=hd590300_0
72+ - xorg-libxdmcp=1.1.3=h7f98852_0
73+ - xorg-libxext=1.3.4=h0b41bf4_2
74+ - xorg-libxrender=0.9.10=h7f98852_1003
75+ - xorg-renderproto=0.11.1=h7f98852_1002
76+ - xorg-xextproto=7.3.0=h0b41bf4_1003
77+ - xorg-xproto=7.0.31=h7f98852_1007
78+ - xz=5.2.6=h166bdaf_0
79+ - zstd=1.5.6=ha6fb4c9_0
3480 - pip :
35- - nglview==3.0.3
36- - periodictable==1.6.1
37- - seaborn==0.11.2
38- - torch==2.2.0
39- - e3fp==1.2.5
81+ - adaptive-sampling==3.0.1
82+ - aiohttp==3.9.5
83+ - aiosignal==1.3.1
84+ - ase==3.23.0
85+ - asgiref==3.8.1
86+ - asttokens==2.4.1
87+ - async-timeout==4.0.3
88+ - attrs==24.2.0
89+ - certifi==2024.7.4
90+ - charset-normalizer==3.3.2
91+ - chgnet==0.3.1
92+ - comm==0.2.2
93+ - configargparse==1.7
94+ - contourpy==1.2.1
95+ - cycler==0.12.1
96+ - cython==3.0.11
97+ - debugpy==1.6.0
98+ - decorator==5.1.1
99+ - django==4.0
100+ - e3fp==1.2.5
101+ - e3nn==0.4.4
102+ - exceptiongroup==1.2.2
103+ - executing==2.0.1
104+ - filelock==3.15.4
105+ - fonttools==4.53.1
106+ - frozenlist==1.4.1
107+ - fsspec==2024.6.1
108+ - gitdb==4.0.11
109+ - gitpython==3.1.43
110+ - h5py==3.11.0
111+ - idna==3.7
112+ - importlib-resources==6.4.1
113+ - ipython==8.18.1
114+ - ipywidgets==8.1.3
115+ - jedi==0.19.1
116+ - jinja2==3.1.4
117+ - joblib==1.4.2
118+ - jupyterlab-widgets==3.0.11
119+ - kiwisolver==1.4.5
120+ - lightning-utilities==0.11.6
121+ - mace-torch==0.3.5
122+ - markupsafe==2.1.5
123+ - matplotlib==3.4.3
124+ - matplotlib-inline==0.1.7
125+ - matscipy==1.1.0
126+ - mmh3==4.1.0
127+ - mpmath==1.3.0
128+ - multidict==6.0.5
129+ - networkx==3.2
130+ - nglview==3.0.3
131+ - nvidia-cublas-cu12==12.1.3.1
132+ - nvidia-cuda-cupti-cu12==12.1.105
133+ - nvidia-cuda-nvrtc-cu12==12.1.105
134+ - nvidia-cuda-runtime-cu12==12.1.105
135+ - nvidia-cudnn-cu12==8.9.2.26
136+ - nvidia-cufft-cu12==11.0.2.54
137+ - nvidia-curand-cu12==10.3.2.106
138+ - nvidia-cusolver-cu12==11.4.5.107
139+ - nvidia-cusparse-cu12==12.1.0.106
140+ - nvidia-ml-py3==7.352.0
141+ - nvidia-nccl-cu12==2.19.3
142+ - nvidia-nvjitlink-cu12==12.6.20
143+ - nvidia-nvtx-cu12==12.1.105
144+ - opt-einsum==3.3.0
145+ - opt-einsum-fx==0.1.4
146+ - packaging==24.1
147+ - pandas==1.4.2
148+ - parso==0.8.4
149+ - periodictable==1.6.1
150+ - pexpect==4.9.0
151+ - pillow==10.4.0
152+ - pip==25.1.1
153+ - plotly==5.23.0
154+ - prettytable==3.11.0
155+ - prompt-toolkit==3.0.47
156+ - ptyprocess==0.7.0
157+ - pure-eval==0.2.3
158+ - pygments==2.18.0
159+ - pymatgen==2022.5.26
160+ - pyparsing==3.1.2
161+ - python-dateutil==2.9.0.post0
162+ - python-hostlist==1.23.0
163+ - pyyaml==6.0.2
164+ - rdkit==2024.9.6
165+ - ruamel-yaml==0.18.6
166+ - ruamel-yaml-clib==0.2.8
167+ - scikit-learn==1.1.1
168+ - scipy==1.11.3
169+ - sdaxen-python-utilities==0.1.5
170+ - smart-open==7.0.4
171+ - smmap==5.0.1
172+ - sqlparse==0.5.1
173+ - stack-data==0.6.3
174+ - sympy==1.13.2
175+ - tabulate==0.9.0
176+ - tenacity==9.0.0
177+ - threadpoolctl==3.5.0
178+ - torch==2.2.0
179+ - torch-dftd==0.5.2
180+ - torch-ema==0.3
181+ - torchmetrics==1.4.1
182+ - tqdm==4.64.0
183+ - traitlets==5.14.3
184+ - triton==2.2.0
185+ - typing-extensions==4.12.2
186+ - urllib3==2.2.2
187+ - wcwidth==0.2.13
188+ - widgetsnbextension==4.0.11
189+ - wrapt==1.16.0
190+ - yarl==1.9.4
191+ - zipp==3.20.0
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