Alternatives and similar repositories for SurfPro

Users that are interested in SurfPro are comparing it to the libraries listed below

• kxz18 / UniMoMo
  Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)
  ☆50Updated 2 weeks ago
• Ced3-han / PepFlowww
  Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)
  ☆89Updated 3 months ago
• DeepGraphLearning / ESM-GearNet
  ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)
  ☆109Updated last year
• THUNLP-MT / PepGLAD
  Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
  ☆91Updated 5 months ago
• TianZhuAI4S / DiffAffinity
  Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)
  ☆37Updated last year
• DeepGraphLearning / S3F
  Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)
  ☆43Updated 9 months ago
• pengxingang / PocketXMol
  Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.
  ☆76Updated 3 weeks ago
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆104Updated last year
• zhouxiangxin1998 / DualDiff
  ☆14Updated 9 months ago
• Layne-Huang / PMDM
  ☆139Updated last month
• wengong-jin / DSMBind
  ☆92Updated 11 months ago
• bytedance / ConfDiff
  Official Implemetation of ConfDiff (ICML'24) - Protein Conformation Generation via Force-Guided SE(3) Diffusion Models
  ☆63Updated last year
• pgmikhael / clipzyme
  Reaction-Conditioned Virtual Screening of Enzymes
  ☆35Updated 3 months ago
• jdp22 / CP-Composer_final
  Official implementation of CP-Composer. It is the released code of 《Zero-Shot Cyclic Peptide Design via Composable Geometric Constraints》…
  ☆17Updated last month
• THUNLP-MT / dyMEAN
  This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"
  ☆118Updated 6 months ago
• THUNLP-MT / MEAN
  This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.
  ☆96Updated 2 years ago
• YangLing0818 / IPDiff
  [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models
  ☆51Updated last year
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆34Updated last year
• WillHua127 / ReactZyme
  Official repository of ReactZyme
  ☆36Updated 11 months ago
• bytedance / apm
  ☆48Updated 3 months ago
• stebliankin / piston
  Evaluating Protein Binding Interfaces with Transformer Networks
  ☆47Updated last year
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆124Updated 2 weeks ago
• THUNLP-MT / GET
  This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).
  ☆36Updated 2 months ago
• blt2114 / ProtDiff_SMCDiff
  Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…
  ☆74Updated 2 years ago
• zhengkangjie / ESM-AA
  ☆76Updated 7 months ago
• pengzhangzhi / ab_opt
  Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.
  ☆60Updated last year
• LeiLiLab / EnzyGen
  ☆36Updated 3 months ago
• wengong-jin / abdockgen
  ☆107Updated 2 years ago
• ai4protein / ProSST
  🧬 Advanced hybrid language model for directed protein evolution. (NeurIPS 2024)
  ☆135Updated 3 months ago
• bytedance / HMR
  Learning Harmonic Molecular Representations on Riemannian Manifold, ICLR, 2023
  ☆23Updated 2 years ago