revert to 08afe382 config

openfold/config.py

@@ -155,12 +155,12 @@ def model_config(
         c.loss.tm.weight = 0.1
     elif "multimer" in name:
         c.globals.is_multimer = True
-        c.globals.bfloat16 = True
+        c.globals.bfloat16 = False
         c.globals.bfloat16_output = False
         c.loss.masked_msa.num_classes = 22
         c.data.common.max_recycling_iters = 20
 
-        for k,v in multimer_model_config_update.items():
+        for k,v in multimer_model_config_update['model'].items():
             c.model[k] = v
 
         for k,v in multimer_model_config_update['loss'].items():
@@ -593,6 +593,12 @@ config = mlc.ConfigDict(
                     "c_out": 37,
                 },
             },
+            # A negative value indicates that no early stopping will occur, i.e.
+            # the model will always run `max_recycling_iters` number of recycling
+            # iterations. A positive value will enable early stopping if the
+            # difference in pairwise distances is less than the tolerance between
+            # recycling steps.
+            "recycle_early_stop_tolerance": -1.
         },
         "relax": {
             "max_iterations": 0,  # no max
@@ -673,17 +679,11 @@ config = mlc.ConfigDict(
             "eps": eps,
         },
         "ema": {"decay": 0.999},
-        # A negative value indicates that no early stopping will occur, i.e.
-        # the model will always run `max_recycling_iters` number of recycling
-        # iterations. A positive value will enable early stopping if the
-        # difference in pairwise distances is less than the tolerance between
-        # recycling steps.
-        "recycle_early_stop_tolerance": -1
     }
 )
 
 multimer_model_config_update = {
-    "input_embedder": {
+    'model':{"input_embedder": {
         "tf_dim": 21,
         "msa_dim": 49,
         #"num_msa": 508,
@@ -694,6 +694,20 @@ multimer_model_config_update = {
         "max_relative_idx": 32,
         "use_chain_relative": True,
     },
+    "template": {
+        "distogram": {
+            "min_bin": 3.25,
+            "max_bin": 50.75,
+            "no_bins": 39,
+        },
+        "template_pair_embedder": {
+            "c_z": c_z,
+            "c_m": c_m,
+            "relpos_k": 32,
+            "max_relative_chain": 2,
+            "max_relative_idx": 32,
+            "use_chain_relative": True,
+        },
         "template": {
             "distogram": {
                 "min_bin": 3.25,
@@ -825,6 +839,10 @@ multimer_model_config_update = {
                 "c_out": 37,
             },
         },
+        "recycle_early_stop_tolerance": 0.5
+    },
+    "recycle_early_stop_tolerance": 0.5
+    },
     "loss": {
         "distogram": {
             "min_bin": 2.3125,
@@ -901,5 +919,4 @@ multimer_model_config_update = {
         },
         "eps": eps,
     },
-    "recycle_early_stop_tolerance": 0.5
 }