Search Results - RepositoryStats

86

321

mit

15

Scientific machine learning (SciML) benchmarks, AI for science, and (differential) equation solvers. Covers Julia, Python (PyTorch, Jax), MATLAB, R

ai dae jax ode pde sde julia sciml matlab python pytorch benchmark neural-ode ai-for-science differentialequations differential-equations scientific-machine-learning nerual-differential-equations partial-differential-equations

Created 2016-10-31

3,215 commits to master branch, last one 2 days ago

Mol-Instructions zjunlp

16

260

mit

7

[ICLR 2024] Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models

llama dataset protein science datasets iclr2024 molecule resource biomedical generation instruction instructions ai-for-science mol-instruction instruction-following large-language-models natural-language-processing

Created 2023-04-12

210 commits to main branch, last one 3 months ago

equiformer_v2 atomicarchitects

32

238

mit

4

[ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations

e3nn pytorch force-fields deep-learning ai-for-science drug-discovery catalyst-design machine-learning materials-science molecular-dynamics computational-physics graph-neural-networks interatomic-potentials computational-chemistry geometric-deep-learning equivariant-neural-networks equivariant-graph-neural-network

Created 2023-06-21

16 commits to main branch, last one 6 months ago

targetdiff guanjq

39

232

unknown

4

The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)

iclr2023 drug-design ai-for-science diffusion-models equivariant-networks

Created 2023-03-02

20 commits to main branch, last one about a year ago

equiformer atomicarchitects

43

224

mit

5

[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

e3nn pytorch force-fields deep-learning ai-for-science drug-discovery catalyst-design machine-learning materials-science molecular-dynamics graph-neural-networks interatomic-potentials computational-chemistry geometric-deep-learning equivariant-neural-networks equivariant-graph-neural-network

Created 2023-02-28

7 commits to master branch, last one 12 days ago

Awesome-LWMs jaychempan

27

212

mit

16

🌍 A Collection of Awesome Large Weather Models (LWMs) | AI for Earth (AI4Earth) | AI for Science (AI4Science)

weather nowcasting meteorology ai-for-earth oceanography ai-for-science ocean-modelling atmosphere-model foundation-model weather-forecast large-weather-models

Created 2023-12-07

132 commits to main branch, last one 4 days ago