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AI and Simulations for Drug Discovery

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giadefa  new activity 22 days ago
Acellera/AceFF-2-RESP-1:Add model card and RESP charge correlation plot
giadefa  published a model 25 days ago
Acellera/AceFF-2-RESP-1
giadefa  new activity 7 months ago
Acellera/AceFF-2.0:Request for torchmd-train scripts for fine-tuning AceFF 2.0 model
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Papers

AceFF: A State-of-the-Art Machine Learning Potential for Small Molecules

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giadefa 
in Acellera/AceFF-2-RESP-1 22 days ago

Add model card and RESP charge correlation plot
#1 opened 22 days ago by
sfarracellera
giadefa 
published a model 25 days ago
giadefa 
in Acellera/AceFF-2.0 7 months ago

Request for torchmd-train scripts for fine-tuning AceFF 2.0 model

1
#5 opened 7 months ago by
gcorrea96
giadefa 
updated a model 8 months ago
giadefa 
submitted a paper to Daily Papers 8 months ago
giadefa 
in Acellera/AceFF-2.0 8 months ago

update example links
#4 opened 8 months ago by
sfarracellera
giadefa 
updated a model 8 months ago
giadefa 
in Acellera/AceFF-2.0 8 months ago

Add pipeline tag, library name, and paper link
#3 opened 8 months ago by
nielsr

Update README.md
#2 opened 8 months ago by
sfarracellera

Upload aceff_v2.0.ckpt
#1 opened 8 months ago by
sfarracellera
giadefa 
published a model 9 months ago
giadefa 
updated a collection 9 months ago
giadefa 
updated 4 models 9 months ago
giadefa 
updated 2 models 10 months ago