alphapulldown==2.2.0
matplotlib
nvidia-ml-py
ihm
scipy==1.16.0
jax[cuda12]==0.5.3
numpy==1.26.4
pandas
pydantic
packaging
opt_einsum
rdkit==2024.3.5
zstandard==0.23.0
jaxtyping==0.2.34
typeguard==2.13.3
jax_triton==0.2.0
triton==3.1.0
nvidia-cublas-cu12==12.8.5.5
nvidia-cuda-cccl-cu12==12.9.27
nvidia-cuda-cupti-cu12==12.9.79
nvidia-cuda-nvcc-cu12==12.9.86
nvidia-cuda-nvrtc-cu12==12.9.86
nvidia-cuda-runtime-cu12==12.9.79
nvidia-cudnn-cu12==9.20.0.48
nvidia-cufft-cu12==11.4.1.4
nvidia-cusolver-cu12==11.7.5.82
nvidia-cusparse-cu12==12.5.10.65
nvidia-nccl-cu12==2.29.7
nvidia-nvjitlink-cu12==12.9.86
nvidia-nvshmem-cu12==3.5.21
torch>=1.6
