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ImagePLB Public
An Image-based Protein-Ligand Binding Representation Learning Framework via Multi-Level Flexible Dynamics Trajectory Pre-training (Under review)
Python MIT License UpdatedJun 2, 2025 -
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fairchem Public
Forked from facebookresearch/fairchemFAIR Chemistry's library of machine learning methods for chemistry
Python Other UpdatedMay 14, 2025 -
croissant Public
Forked from mlcommons/croissantCroissant is a high-level format for machine learning datasets that brings together four rich layers.
Jupyter Notebook Apache License 2.0 UpdatedMay 8, 2025 -
ImageMol Public
ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
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TinyZero Public
Forked from Jiayi-Pan/TinyZeroClean, minimal, accessible reproduction of DeepSeek R1-Zero
Python Apache License 2.0 UpdatedFeb 1, 2025 -
open-r1 Public
Forked from huggingface/open-r1Fully open reproduction of DeepSeek-R1
Python Apache License 2.0 UpdatedJan 30, 2025 -
shepherd-score Public
Forked from coleygroup/shepherd-scoreInteraction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
Python MIT License UpdatedJan 29, 2025 -
mattergen Public
Forked from microsoft/mattergenOfficial implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c…
Python MIT License UpdatedJan 17, 2025 -
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IEM Public
An Image-enhanced Molecular Graph Representation Learning Framework (IJCAI 2024)
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VideoMol Public
A Molecular Video-derived Foundation Model for Scientific Drug Discovery (Nature Communications 2024)
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RhoFold Public
Forked from ml4bio/RhoFoldNature Methods: RhoFold+, Accurate RNA 3D structure prediction using a language model-based deep learning approach
Python Apache License 2.0 UpdatedDec 19, 2024 -
evo Public
Forked from evo-design/evoBiological foundation modeling from molecular to genome scale
Jupyter Notebook Apache License 2.0 UpdatedNov 18, 2024 -
deepmind-alphafold3 Public
Forked from google-deepmind/alphafold3AlphaFold 3 inference pipeline.
Python Other UpdatedNov 11, 2024 -
Protenix Public
Forked from bytedance/ProtenixA trainable PyTorch reproduction of AlphaFold 3.
Python Other UpdatedNov 9, 2024 -
AI2BMD Public
Forked from microsoft/AI2BMDAI-powered ab initio biomolecular dynamics simulation
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CGIP Public
A simple and effective Contrastive Graph-Image Pre-training framework for molecular representation learning (BIB 2023)
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papers_for_protein_design_using_DL Public
Forked from Peldom/papers_for_protein_design_using_DLList of papers about Proteins Design using Deep Learning
GNU General Public License v3.0 UpdatedJul 25, 2024 -
ProLIF Public
Forked from chemosim-lab/ProLIFInteraction Fingerprints for protein-ligand complexes and more
Python Apache License 2.0 UpdatedJul 1, 2024 -
AlphaFold3 Public
Forked from kyegomez/Open-AF3Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch
Python MIT License UpdatedMay 14, 2024 -
egnn-pytorch Public
Forked from lucidrains/egnn-pytorchImplementation of E(n)-Equivariant Graph Neural Networks, in Pytorch
Python MIT License UpdatedNov 20, 2023 -
awesome-ai-bioinformatics Public
A curated list of awesome AI and Bioinformatics.
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DiGress Public
Forked from cvignac/DiGresscode for the paper "DiGress: Discrete Denoising diffusion for graph generation"
Python MIT License UpdatedFeb 28, 2023 -
Pocket2Mol Public
Forked from pengxingang/Pocket2MolPocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
Python MIT License UpdatedJan 4, 2023 -
diffusers Public
Forked from huggingface/diffusers🤗 Diffusers: State-of-the-art diffusion models for image and audio generation in PyTorch
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ML-for-compound-potency-prediction Public
Forked from TiagoJanela/ML-for-compound-potency-predictionJupyter Notebook MIT License UpdatedDec 13, 2022 -
DeepPurpose Public
Forked from kexinhuang12345/DeepPurposeA Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
Jupyter Notebook BSD 3-Clause "New" or "Revised" License UpdatedDec 4, 2022
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