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GitHub / zihao-wang / ReactionOOD
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/zihao-wang%2FReactionOOD
Stars: 1
Forks: 0
Open Issues: 0
License: None
Language: Python
Repo Size: 67.6 MB
Dependencies:
117
Created: 8 months ago
Updated: 3 months ago
Last pushed: 3 months ago
Last synced: 3 months ago
Files
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Readme
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Dependencies
GOOD/setup.py
pypi
- cilog >=1.2.3
- cvxopt >=1.3.0
- dive-into-graphs *
- gdown >=4.4.0
- matplotlib ==3.5.2
- munch ==2.5.0
- networkx ==2.8
- ogb >=1.3.4
- protobuf ==3.20.1
- psutil >=5.9.1
- pynvml >=11.4.1
- pytest ==7.1.2
- pytest-cov *
- pytest-xdist *
- ruamel.yaml ==0.17.21
- setuptools ==59.5.0
- sphinx >=4.5
- sphinx-rtd-theme ==1.0.0
- tensorboard ==2.8.0
- tqdm ==4.64.0
- typed-argument-parser ==1.7.2
GOOD/environment.yml
conda
- cudatoolkit 11.3.*
- pip >=21.0
- pynvml 11.4.*
- python 3.8.*
- pytorch 1.10.1
- rdkit >=2020.09.5
- torchaudio 0.10.1
- torchvision 0.11.2
environment.yml
pypi
- alabaster ==0.7.13
- annotated-types ==0.5.0
- attrs ==23.1.0
- babel ==2.12.1
- blinker ==1.6.2
- cachedmethods ==0.1.4
- charset-normalizer ==3.2.0
- chython ==1.68
- chytorch ==1.53
- chytorch-rxnmap ==1.4
- click ==8.1.7
- cloudpickle ==2.2.1
- cmake ==3.27.5
- descriptastorus ==2.6.1
- diskcache ==5.6.3
- dnspython ==2.4.2
- docstring-parser ==0.15
- docutils ==0.20.1
- epam-indigo ==1.13.0
- filelock ==3.12.4
- flask ==2.3.3
- fsspec ==2023.9.2
- future ==0.18.3
- huggingface-hub ==0.17.3
- hyperopt ==0.2.7
- idna ==3.4
- imagesize ==1.4.1
- itsdangerous ==2.1.2
- jinja2 ==3.1.2
- joblib ==1.3.2
- lazy-object-proxy ==1.9.0
- lit ==17.0.1
- lxml ==4.9.3
- markupsafe ==2.1.3
- mpmath ==1.3.0
- mypy-extensions ==1.0.0
- networkx ==3.1
- nvidia-cublas-cu11 ==11.10.3.66
- nvidia-cuda-cupti-cu11 ==11.7.101
- nvidia-cuda-nvrtc-cu11 ==11.7.99
- nvidia-cuda-runtime-cu11 ==11.7.99
- nvidia-cudnn-cu11 ==8.5.0.96
- nvidia-cufft-cu11 ==10.9.0.58
- nvidia-curand-cu11 ==10.2.10.91
- nvidia-cusolver-cu11 ==11.4.0.1
- nvidia-cusparse-cu11 ==11.7.4.91
- nvidia-nccl-cu11 ==2.14.3
- nvidia-nvtx-cu11 ==11.7.91
- pandas-flavor ==0.6.0
- protobuf ==4.24.3
- py-mini-racer ==0.6.0
- py4j ==0.10.9.7
- pydantic ==2.4.2
- pydantic-core ==2.10.1
- pymongo ==4.5.0
- pyyaml ==6.0.1
- rdkit ==2023.3.3
- regex ==2023.8.8
- requests ==2.31.0
- rxn-chem-utils ==1.4.0
- rxn-utils ==1.5.2
- rxnmapper ==0.3.0
- safetensors ==0.3.3
- scikit-learn ==1.3.1
- scipy ==1.10.1
- snowballstemmer ==2.2.0
- sphinx ==7.1.2
- sphinxcontrib-applehelp ==1.0.4
- sphinxcontrib-devhelp ==1.0.2
- sphinxcontrib-htmlhelp ==2.0.1
- sphinxcontrib-jsmath ==1.0.1
- sphinxcontrib-qthelp ==1.0.3
- sphinxcontrib-serializinghtml ==1.1.5
- sympy ==1.12
- tensorboardx ==2.6.2.2
- threadpoolctl ==3.2.0
- tokenizers ==0.13.3
- torch ==2.0.1
- torchtyping ==0.1.4
- tqdm ==4.66.1
- transformers ==4.33.3
- triton ==2.0.0
- typed-argument-parser ==1.8.1
- typeguard ==4.1.5
- typing-inspect ==0.9.0
- urllib3 ==2.0.5
- werkzeug ==2.3.7
- xarray ==2023.1.0