simulation-property-kt
ๆจกๆ่ฎก็ฎๆถฒ็ธ็ๅ็ผฉ็ณปๆฐ(isothermal compressibility)๏ผๅคๅๅญๅ ็งฏๆๆถฒ็ธ็ๅญ๏ผๅจNPT็ณป็ปผไธ่ฟ่กๅๅญๅจๅๅญฆ๏ผmolecule dynamics, MD)่ฎก็ฎใๅๅญ่พๅ ฅ็ๆ ผๅผๅฏไปฅๆฏ.sdf, .mol, .csvไปฅๅsmiles็ญๅค็งๆ ผๅผ