Boltz

source /apps/pyenv/versions/anaconda3-2024.10-1/etc/profile.d/conda.sh
 
(Boltz-2)
conda create -n Boltz-2 pip python=3.12 -c conda-forge
conda activate Boltz-2
pip install boltz==2.1.1
conda list
 :
boltz                     2.1.1                    pypi_0    pyp
 
conda deactivate
 
(Boltz-1)
conda create -n Boltz-1 pip python=3.12 -c conda-forge
conda activate Boltz-1
pip install boltz==1.0.0
conda deactivate
 

#%Module
set          root /apps/pyenv/versions/anaconda3-2024.10-1/envs/Boltz-2
prepend-path PATH $root/bin

#%Module
set          root /apps/pyenv/versions/anaconda3-2024.10-1/envs/Boltz-1
prepend-path PATH $root/bin

Usage: boltz [OPTIONS] COMMAND [ARGS]...
 
  Boltz1.
 
Options:
  --help  Show this message and exit.
 
Commands:
  predict  Run predictions with Boltz-1.

Usage: boltz predict [OPTIONS] DATA
 
  Run predictions with Boltz-1.
 
Options:
  --out_dir PATH               The path where to save the predictions.
  --cache PATH                 The directory where to download the data and
                               model. Default is ~/.boltz.
  --checkpoint PATH            An optional checkpoint, will use the provided
                               Boltz-1 model by default.
  --devices INTEGER            The number of devices to use for prediction.
                               Default is 1.
  --accelerator [gpu|cpu|tpu]  The accelerator to use for prediction. Default
                               is gpu.
  --recycling_steps INTEGER    The number of recycling steps to use for
                               prediction. Default is 3.
  --sampling_steps INTEGER     The number of sampling steps to use for
                               prediction. Default is 200.
  --diffusion_samples INTEGER  The number of diffusion samples to use for
                               prediction. Default is 1.
  --step_scale FLOAT           The step size is related to the temperature at
                               which the diffusion process samples the
                               distribution.The lower the higher the diversity
                               among samples (recommended between 1 and 2).
                               Default is 1.638.
  --write_full_pae             Whether to dump the pae into a npz file.
                               Default is True.
  --write_full_pde             Whether to dump the pde into a npz file.
                               Default is False.
  --output_format [pdb|mmcif]  The output format to use for the predictions.
                               Default is mmcif.
  --num_workers INTEGER        The number of dataloader workers to use for
                               prediction. Default is 2.
  --override                   Whether to override existing found predictions.
                               Default is False.
  --seed INTEGER               Seed to use for random number generator.
                               Default is None (no seeding).
  --use_msa_server             Whether to use the MMSeqs2 server for MSA
                               generation. Default is False.
  --msa_server_url TEXT        MSA server url. Used only if --use_msa_server
                               is set.
  --msa_pairing_strategy TEXT  Pairing strategy to use. Used only if
                               --use_msa_server is set. Options are 'greedy'
                               and 'complete'
  --help                       Show this message and exit.

[root@rockylinux8 ~]# cat /etc/redhat-release
Rocky Linux release 8.10 (Green Obsidian)
 
[root@rockylinux8 ~]# dnf module list nodejs
Last metadata expiration check: 0:10:33 ago on Mon 23 Jun 2025 09:58:38 PM JST.
Rocky Linux 8 - AppStream
Name              Stream              Profiles                                        Summary
nodejs            10 [d][e]           common [d], development, minimal, s2i           Javascript runtime
nodejs            12                  common [d], development, minimal, s2i           Javascript runtime
nodejs            14                  common [d], development, minimal, s2i           Javascript runtime
nodejs            16                  common [d], development, minimal, s2i           Javascript runtime
nodejs            18                  common [d], development, minimal, s2i           Javascript runtime
nodejs            20                  common [d], development, minimal, s2i           Javascript runtime
nodejs            22                  common, development, minimal, s2i               Javascript runtime
 
Hint: [d]efault, [e]nabled, [x]disabled, [i]nstalled
[root@rockylinux8 ~]#
 
[root@rockylinux8 ~]# dnf module install nodejs:18     <-- エラーが出るなら「dnf module reset nodejs」を実行

[saber@rockylinux8 ~]$ echo $PATH
/home/saber/.local/bin:/home/saber/bin:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin
 
[saber@rockylinux8 ~]$ curl -LsSf https://astral.sh/uv/install.sh | sh
downloading uv 0.7.13 x86_64-unknown-linux-gnu
no checksums to verify
installing to /home/saber/.local/bin
  uv
  uvx
everything's installed!
 
[saber@rockylinux8 ~]$ uv --version
uv 0.7.13
[saber@rockylinux8 ~]$

[saber@rockylinux8 ~]$ git clone https://github.com/ravishar313/boltz-gui

[saber@rockylinux8 ~]$ cd boltz-gui/backend/
 
[saber@rockylinux8 backend]$ uv sync

[saber@rockylinux8 ~]$ cd boltz-gui/backend/
 
[saber@rockylinux8 backend]$ source .venv/bin/activate
 
(boltz-gui) [saber@rockylinux8 backend]$ uv run run_server.py
 
(boltz-gui) [saber@rockylinux8 backend]$ uv run run_server.py
Starting Boltz GUI Server...
Server will be available at: http://localhost:6969
API documentation: http://localhost:6969/docs
Health check: http://localhost:6969/health
Press Ctrl+C to stop the server
INFO:     Will watch for changes in these directories: ['/home/saber/boltz-gui/backend']
INFO:     Uvicorn running on http://0.0.0.0:6969 (Press CTRL+C to quit)
INFO:     Started reloader process [2120] using WatchFiles
INFO:     Started server process [2122]
INFO:     Waiting for application startup.
INFO:     Application startup complete.
INFO:watchfiles.main:11 changes detected
 :
 
(終了するには CTRL+C で止めて)
^CINFO:     Shutting down
INFO:     Waiting for application shutdown.
INFO:     Application shutdown complete.
INFO:     Finished server process [2122]
INFO:     Stopping reloader process [2120]
 
(boltz-gui) [saber@rockylinux8 backend]$ deactivate
 
[saber@rockylinux8 backend]$

[saber@rockylinux8 ~]$ cd boltz-gui/frontend/
 
[saber@rockylinux8 frontend]$ npm install

[saber@rockylinux8 frontend]$ npm run dev
 
(終了するには CTRL+C で止めます)