@@ -27,6 +27,7 @@ SDEGen: Learning to Evolve Molecular Conformations from Thermodynamic Noise for
### 量化自动化计算核磁共振全谱
https://github.com/grimme-lab/enso Fully Automated Quantum-Chemistry-Based Computation of Spin–Spin-Coupled Nuclear Magnetic Resonance Spectra
+
