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Sorbonne université
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tinker-hp
tinker-hp PublicForked from TinkerTools/tinker-hp
Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs
C++
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GB-FFs-Model
GB-FFs-Model PublicForked from GongCHEN-1995/GB-FFs-Model
Graph-Based Force Fields Model to parameterize Force Fields by Graph Attention Networks
Python
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