Published January 21, 2025
| Version v1
Dataset
Open
CODES Dataset: simple_reaction
Description
Toy dataset for the CODES benchmark (https://github.com/robin-janssen/CODES-Benchmark).
A five-species chemical reaction network.
Possible reactions:
1. A → B
2. B + C ↔ D
3. 2D → E
4. E → A + C
5. C → A
Rate equations:
dA/dt = -0.5 * A + 0.3 * E + 0.1 * C
dB/dt = 0.5 * A - (1.0 * B * C - 0.5 * D)
dC/dt = -(1.0 * B * C - 0.5 * D) - 0.1 * C + 0.3 * E
dD/dt = (1.0 * B * C - 0.5 * D) - 2 * 0.2 * D**2
dE/dt = 0.2 * D**2 - 0.3 * E
101 timesteps in the interval [0,3], solved with scipy.integrate.solve_ivp with the DOP853 method (atol = rtol = 1e-6).
Initial conditions for each species sobol-sampled (in log space) in the following intervals:
A: (0.1, 20)
B: (0.1, 20)
C: (0.1, 20)
D: (1, 30)
E: (1, 30)
700/100/200 train/test/val samples.
Files
Files
(4.0 MB)
| Name | Size | Download all |
|---|---|---|
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md5:ef2833f62c168568ce4ec6b6cbd8cc6f
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4.0 MB | Download |
Additional details
Software
- Repository URL
- https://github.com/robin-janssen/CODES-Benchmark
- Programming language
- Python
- Development Status
- Active