hi,
I found that predicted binding affinity does NOT match between The PSICHIC webserver and Colab(locally deployed version).
However results from running Colab matches results of locally deployed model.
for example the following input(taken from selectivity/ar_selectivity_demo_data.csv),
predicted binding affinity from Colab: 6.637058
predicted binding affinity from The PSICHIC webserver: 8.360055
That's atleast 20% difference! Is The PSICHIC webserver using updated models?
-----example input:
Protein,Ligand
MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS,Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1
hi,
I found that predicted binding affinity does NOT match between The PSICHIC webserver and Colab(locally deployed version).
However results from running Colab matches results of locally deployed model.
for example the following input(taken from selectivity/ar_selectivity_demo_data.csv),
predicted binding affinity from Colab: 6.637058
predicted binding affinity from The PSICHIC webserver: 8.360055
That's atleast 20% difference! Is The PSICHIC webserver using updated models?
-----example input:
Protein,Ligand
MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS,Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1