Alternatives and similar repositories for MolEvol:

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

• guanjq / confopt_official
  The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)
  ☆36Updated 2 years ago
• DeepGraphLearning / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆22Updated 3 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 3 years ago
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆46Updated 3 years ago
• TUM-DAML / synthetic_coordinates
  Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)
  ☆30Updated last year
• kiharalab / RL-MLZerD
  ☆10Updated 2 years ago
• ngminhtri0394 / GEFA
  Implementation of GEFA: Early Fusion Approach in Drug-Target Affinity Prediction
  ☆20Updated 4 years ago
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated last year
• futianfan / CORE
  CORE: Automatic Molecule Optimization using Copy & Refine Strategy (AAAI 2020)
  ☆17Updated last year
• shichence / ProtSeed
  Source code of the paper "Protein Sequence and Structure Co-Design with Equivariant Translation"
  ☆24Updated last year
• GT4SD / multitask_text_and_chemistry_t5
  Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023
  ☆38Updated 7 months ago
• longlongman / DESERT
  Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)
  ☆33Updated 2 years ago
• illidanlab / MolSearch
  Implementation of MolSearch paper
  ☆22Updated last year
• MattMcPartlon / protein-docking
  Code for "A Deep Learning Framework for Flexible Docking and Design"
  ☆16Updated 2 years ago
• phermosilla / IEConv_proteins
  Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures
  ☆48Updated 3 years ago
• IBM / fold2seq
  Code for Fold2Seq paper from ICML 2021
  ☆50Updated 2 years ago
• gncs / graphdg
  Generative model for molecular distance geometry
  ☆39Updated 2 years ago
• yangkevin2 / icml2020-stochastic-iterative-target-augmentation
  ☆11Updated 4 years ago
• adaptyvbio / ProtFill
  Inpainting protein sequence and structure
  ☆12Updated last year
• IBM / QMO
  Code and data for QMO https://arxiv.org/abs/2011.01921
  ☆35Updated 3 years ago
• EleutherAI / mp_nerf
  Massively-Parallel Natural Extension of Reference Frame
  ☆31Updated 2 years ago
• jscant / PointVS
  SE(3)-equivariant point cloud networks for virtual screening
  ☆20Updated last year
• leojklarner / context-guided-diffusion
  Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design
  ☆37Updated 9 months ago
• sarpaykent / GBPNet
  ☆20Updated 2 years ago
• dqwang122 / EATLM
  Code for 'On Pre-trained Language Models For Antibody'
  ☆33Updated 2 years ago
• zaixizhang / FAIR
  NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement
  ☆46Updated last year
• wuhuaijin / EBMDock
  Official implementation for the paper "EBMDOCK: NEURAL PROBABILISTIC PROTEIN-PROTEIN DOCKING VIA A DIFFERENTIABLE ENERGY-BASED MODEL" (IC…
  ☆13Updated 11 months ago
• ibm-research-tokyo / graph_grammar
  Code for "Molecular Hypergraph Grammar with Its Application to Molecular Optimization"
  ☆39Updated 4 months ago
• Vincentx15 / atom2D
  ☆13Updated 4 months ago
• Profluent-Internships / MMDiff
  Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion
  ☆57Updated 11 months ago