Add missing config values

dd8e44b3 · Gustaf Ahdritz · ab0c6977 · dd8e44b3
Commit dd8e44b3 authored Sep 26, 2021 by Gustaf Ahdritz
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Showing with 7 additions and 4 deletions

config.py config.py +7 -4

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--- a/config.py
+++ b/config.py
@@ -19,7 +19,8 @@ c_m = mlc.FieldReference(256)
 c_t = mlc.FieldReference(64)
 c_e = mlc.FieldReference(64)
 c_s = mlc.FieldReference(384)
-chunk_size = mlc.FieldReference(4)
+blocks_per_ckpt = mlc.FieldReference(1)
+chunk_size = mlc.FieldReference(4)#1280)
 aux_distogram_bins = mlc.FieldReference(64)

 config = mlc.ConfigDict({
@@ -71,7 +72,7 @@ config = mlc.ConfigDict({
                "no_heads": 4, 
                "pair_transition_n": 2, 
                "dropout_rate": 0.25,
-                "blocks_per_ckpt": None,
+                "blocks_per_ckpt": blocks_per_ckpt,
                "chunk_size": chunk_size,
            },
            "template_pointwise_attention": {
@@ -105,7 +106,7 @@ config = mlc.ConfigDict({
                "transition_n": 4,
                "msa_dropout": 0.15,
                "pair_dropout": 0.25,
-                "blocks_per_ckpt": None,
+                "blocks_per_ckpt": blocks_per_ckpt,
                "chunk_size": chunk_size,
                "inf": 1e9,
                "eps": 1e-10,
@@ -126,7 +127,7 @@ config = mlc.ConfigDict({
            "transition_n": 4,
            "msa_dropout": 0.15,
            "pair_dropout": 0.25,
-            "blocks_per_ckpt": None,
+            "blocks_per_ckpt": blocks_per_ckpt,
            "chunk_size": chunk_size,
            "inf": 1e9,
            "eps": 1e-10,
@@ -226,6 +227,8 @@ config = mlc.ConfigDict({
            "weight": 1.0,
        },
        "violation": {
+            "violation_tolerance_factor": 12.0,
+            "clash_overlap_tolerance": 1.5,
            "eps": 1e-6,
            "weight": 0.,
        },