MolNexTR/environment.yml at main · CYF2000127/MolNexTR · GitHub

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
name: molnextr
channels:
  - defaults
dependencies:
  - _libgcc_mutex=0.1=main
  - _openmp_mutex=5.1=1_gnu
  - bzip2=1.0.8=h5eee18b_6
  - ca-certificates=2024.12.31=h06a4308_0
  - ld_impl_linux-64=2.40=h12ee557_0
  - libffi=3.4.4=h6a678d5_1
  - libgcc-ng=11.2.0=h1234567_1
  - libgomp=11.2.0=h1234567_1
  - libstdcxx-ng=11.2.0=h1234567_1
  - libuuid=1.41.5=h5eee18b_0
  - ncurses=6.4=h6a678d5_0
  - openssl=3.0.15=h5eee18b_0
  - pip=24.2=py310h06a4308_0
  - python=3.10.16=he870216_1
  - readline=8.2=h5eee18b_0
  - setuptools=75.1.0=py310h06a4308_0
  - sqlite=3.45.3=h5eee18b_0
  - tk=8.6.14=h39e8969_0
  - tzdata=2024b=h04d1e81_0
  - wheel=0.44.0=py310h06a4308_0
  - xz=5.4.6=h5eee18b_1
  - zlib=1.2.13=h5eee18b_1
  - pip:
      - albumentations==1.1.0
      - attrs==24.3.0
      - blinker==1.9.0
      - certifi==2024.12.14
      - charset-normalizer==3.4.1
      - click==8.1.8
      - configargparse==1.7
      - fastprogress==1.0.3
      - filelock==3.16.1
      - flask==3.1.0
      - fsspec==2024.12.0
      - gensim==4.3.3
      - idna==3.10
      - itsdangerous==2.2.0
      - joblib==1.4.2
      - lightning-utilities==0.11.9
      - markdown==3.7
      - molnextr==1.0.0
      - mpmath==1.3.0
      - numpy==1.26.4
      - nvidia-cublas-cu12==12.4.5.8
      - nvidia-cuda-cupti-cu12==12.4.127
      - nvidia-cuda-nvrtc-cu12==12.4.127
      - nvidia-cuda-runtime-cu12==12.4.127
      - nvidia-cudnn-cu12==9.1.0.70
      - nvidia-cufft-cu12==11.2.1.3
      - nvidia-curand-cu12==10.3.5.147
      - nvidia-cusolver-cu12==11.6.1.9
      - nvidia-cusparse-cu12==12.3.1.170
      - nvidia-nccl-cu12==2.21.5
      - nvidia-nvjitlink-cu12==12.4.127
      - nvidia-nvtx-cu12==12.4.127
      - opencv-python==4.11.0.86
      - opencv-python-headless==4.11.0.86
      - opennmt-py==2.2.0
      - pillow==11.1.0
      - protobuf==5.29.3
      - pyonmttok==1.37.1
      - pyparsing==3.2.1
      - pytorch-lightning==2.5.0.post0
      - qudida==0.0.4
      - requests==2.32.3
      - scikit-learn==1.6.1
      - sentencepiece==0.2.0
      - six==1.17.0
      - smart-open==7.1.0
      - smilespe==0.0.3
      - sympy==1.13.1
      - tensorboard==2.18.0
      - tensorboard-data-server==0.7.2
      - threadpoolctl==3.5.0
      - timm==0.4.12
      - torch==2.5.1
      - torchmetrics==1.6.1
      - torchtext==0.5.0
      - torchvision==0.20.1
      - tqdm==4.67.1
      - triton==3.1.0
      - typing-extensions==4.12.2
      - urllib3==2.3.0
      - waitress==3.0.2
      - werkzeug==3.1.3