DFT的matlab源代码-SAC-Scaling-Laws:使用机器学习在支持物上训练单原子催化剂的比例定律

[{"title":"（ 62 个子文件 21.83MB ） DFT的matlab源代码-SAC-Scaling-Laws:使用机器学习在支持物上训练单原子催化剂的比例定律","children":[{"title":"SAC-Scaling-Laws-master","children":[{"title":"images","children":[{"title":"table_of_content.png <span style='color:#111;'> 446.03KB </span>","children":null,"spread":false},{"title":"metal_support.png <span style='color:#111;'> 796.01KB </span>","children":null,"spread":false}],"spread":true},{"title":"runtime.txt <span style='color:#111;'> 10B </span>","children":null,"spread":false},{"title":"gp_models","children":[{"title":"trees","children":[{"title":"ea_3.png <span style='color:#111;'> 17.67KB </span>","children":null,"spread":false},{"title":"ea_1.png <span style='color:#111;'> 20.62KB </span>","children":null,"spread":false},{"title":".DS_Store <span style='color:#111;'> 8.00KB </span>","children":null,"spread":false},{"title":"ea_0.png <span style='color:#111;'> 17.74KB </span>","children":null,"spread":false},{"title":"ea_2.png <span style='color:#111;'> 17.75KB </span>","children":null,"spread":false},{"title":"ea_4.png <span style='color:#111;'> 23.91KB </span>","children":null,"spread":false}],"spread":true},{"title":"Ea_gp_models.csv <span style='color:#111;'> 540B </span>","children":null,"spread":false},{"title":"Ea_data.csv <span style='color:#111;'> 8.11KB </span>","children":null,"spread":false},{"title":".DS_Store <span style='color:#111;'> 8.00KB </span>","children":null,"spread":false},{"title":"train_gp_Ea.py <span style='color:#111;'> 2.13KB </span>","children":null,"spread":false},{"title":"README.md <span style='color:#111;'> 1.02KB </span>","children":null,"spread":false}],"spread":true},{"title":"ml_models","children":[{"title":"coefficient_unnormalized.csv <span style='color:#111;'> 4.75KB </span>","children":null,"spread":false},{"title":"ridge","children":[{"title":"ridge_coef_heatmap.png <span style='color:#111;'> 219.91KB </span>","children":null,"spread":false},{"title":"ridge_a_vs_cv.png <span style='color:#111;'> 507.34KB </span>","children":null,"spread":false},{"title":"ridge_error_atom.png <span style='color:#111;'> 78.58KB </span>","children":null,"spread":false},{"title":"ridge_error.png <span style='color:#111;'> 69.22KB </span>","children":null,"spread":false},{"title":"ridge_parity.png <span style='color:#111;'> 220.90KB </span>","children":null,"spread":false}],"spread":true},{"title":"lasso","children":[{"title":"lasso_a_vs_n.png <span style='color:#111;'> 404.80KB </span>","children":null,"spread":false},{"title":"lasso_coef_heatmap.png <span style='color:#111;'> 219.82KB </span>","children":null,"spread":false},{"title":"lasso_parity.png <span style='color:#111;'> 240.00KB </span>","children":null,"spread":false},{"title":"lasso_a_vs_cv.png <span style='color:#111;'> 743.45KB </span>","children":null,"spread":false}],"spread":true},{"title":"train_Ebind.ipynb <span style='color:#111;'> 7.42MB </span>","children":null,"spread":false},{"title":"ridge_Ebind","children":[{"title":"ridge_Ebind_parity.png <span style='color:#111;'> 153.99KB </span>","children":null,"spread":false},{"title":"ridge_Ebind_a_vs_cv.png <span style='color:#111;'> 268.79KB </span>","children":null,"spread":false}],"spread":true},{"title":"OLS","children":[{"title":"OLS_coef_heatmap.png <span style='color:#111;'> 219.47KB </span>","children":null,"spread":false},{"title":"OLS_parity.png <span style='color:#111;'> 161.68KB </span>","children":null,"spread":false}],"spread":true},{"title":"lasso_Ebind","children":[{"title":"lasso_Ebind_a_vs_cv.png <span style='color:#111;'> 885.58KB </span>","children":null,"spread":false},{"title":"lasso_Ebind_parity.png <span style='color:#111;'> 229.10KB </span>","children":null,"spread":false},{"title":"lasso_Ebind_a_vs_n.png <span style='color:#111;'> 628.05KB </span>","children":null,"spread":false}],"spread":true},{"title":"__pycache__","children":[{"title":"regression_tools.cpython-37.pyc <span style='color:#111;'> 9.07KB </span>","children":null,"spread":false}],"spread":true},{"title":"coefficient_normalized.csv <span style='color:#111;'> 4.75KB </span>","children":null,"spread":false},{"title":"train_Ea.py <span style='color:#111;'> 27.27KB </span>","children":null,"spread":false},{"title":"Ea_data.csv <span style='color:#111;'> 8.11KB </span>","children":null,"spread":false},{"title":"regression_tools.py <span style='color:#111;'> 10.96KB </span>","children":null,"spread":false},{"title":"train_Ebind.py <span style='color:#111;'> 16.04KB </span>","children":null,"spread":false},{"title":"DSL","children":[{"title":"DSL_parity.png <span style='color:#111;'> 245.89KB </span>","children":null,"spread":false},{"title":"DSL_parity_metal.png <span style='color:#111;'> 352.05KB </span>","children":null,"spread":false},{"title":"DSL_parity_support.png <span style='color:#111;'> 275.12KB </span>","children":null,"spread":false},{"title":"DSL_performance.png <span style='color:#111;'> 127.15KB </span>","children":null,"spread":false}],"spread":false},{"title":"enet_Ebind","children":[{"title":"enet_data.csv <span style='color:#111;'> 688B </span>","children":null,"spread":false},{"title":"enet_Ebind_a_vs_cv.png <span style='color:#111;'> 913.84KB </span>","children":null,"spread":false},{"title":"enet_Ebind_a_vs_n.png <span style='color:#111;'> 732.04KB </span>","children":null,"spread":false},{"title":"elastic_net.png <span style='color:#111;'> 106.48KB </span>","children":null,"spread":false},{"title":"enet_Ebind_parity.png <span style='color:#111;'> 229.10KB </span>","children":null,"spread":false}],"spread":false},{"title":"OLS_Ebind","children":[{"title":"OLS_Ebind_parity.png <span style='color:#111;'> 152.85KB </span>","children":null,"spread":false}],"spread":false},{"title":"GP","children":[{"title":"GP_parity.png <span style='color:#111;'> 248.50KB </span>","children":null,"spread":false}],"spread":false},{"title":"train_Ea.ipynb <span style='color:#111;'> 9.50MB </span>","children":null,"spread":false},{"title":"enet","children":[{"title":"enet_data.csv <span style='color:#111;'> 694B </span>","children":null,"spread":false},{"title":"enet_a_vs_cv.png <span style='color:#111;'> 812.04KB </span>","children":null,"spread":false},{"title":"enet_a_vs_n.png <span style='color:#111;'> 520.10KB </span>","children":null,"spread":false},{"title":"enet_parity.png <span style='color:#111;'> 238.03KB </span>","children":null,"spread":false},{"title":"elastic_net.png <span style='color:#111;'> 97.22KB </span>","children":null,"spread":false},{"title":"enet_coef_heatmap.png <span style='color:#111;'> 219.77KB </span>","children":null,"spread":false}],"spread":false}],"spread":false},{"title":"LICENSE <span style='color:#111;'> 1.04KB </span>","children":null,"spread":false},{"title":".DS_Store <span style='color:#111;'> 8.00KB </span>","children":null,"spread":false},{"title":"requirements.txt <span style='color:#111;'> 120B </span>","children":null,"spread":false},{"title":".gitignore <span style='color:#111;'> 35B </span>","children":null,"spread":false},{"title":"README.md <span style='color:#111;'> 2.42KB </span>","children":null,"spread":false},{"title":".gitattributes <span style='color:#111;'> 66B </span>","children":null,"spread":false}],"spread":true}],"spread":true}]