Chemical universe
Target libraries
DAT
Dopamine transporter
Molecules

ADHD
Parkinson's
Addiction
Cognitive
TRD
SERT
Serotonin reuptake
Molecules

MDD
GAD
OCD
PTSD
Panic
PMDD
NET
Norepinephrine reuptake
Molecules

ADHD
Chronic pain
TRD
Fatigue
VMAT1
Monoamine vesicular transport
Molecules

Anxiety
Bipolar
Stress
Neuroendocrine
VMAT2
Monoamine storage
Molecules

Parkinson's
Addiction
Tardive dyskinesia
Tourette's
HDAC1
Histone deacetylation
Molecules

Oncology
DNA repair
Neurodegeneration
Aging
HDAC2
Histone deacetylation
Molecules

Alzheimer's
Rejuvenation
PTSD
Synaptic plasticity
HDAC3
Chromatin remodeling
Molecules

Inflammation
Metabolic
Memory
Pain
HDAC8
Histone deacetylation
Molecules

Rare cancers
Fibrotic
Smooth muscle
Epigenetic
Models
TREAT-1
METANOVA 
Fine-tuned version of PSICHIC (protein-ligand binding affinity) monoamine transporters
DAT
SERT
NET
See models weights
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TREAT-2
METANOVA 
Fine-tuned version of PSICHIC (protein-ligand binding affinity) the histone deacetylase family of enzimes
HDAC 1
HDAC 2
HDAC 3
HDAC 8
See models weights
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BOLTZ-2
MIT & Recursion Pharma
Structure-based molecular docking and co-folding model predicts how small molecules interact with protein targets using 3D structural information for physics-level accuracy.
See models weights
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