tienmphan Goto Github PK

3dscience

MIT 20.S947 course on 3D scientific rendering

af_cluster

Predict multiple protein conformations using sequence clustering and AlphaFold2.

al-folio

A beautiful, simple, clean, and responsive Jekyll theme for academics

alphaflow

AlphaFold Meets Flow Matching for Generating Protein Ensembles

armeev_et_al_2021

atranet

awesome-diffusion-models

A collection of resources and papers on Diffusion Models

catboss

CATBOSS: Cluster Analysis of Trajectories Based on Segment Splitting

cats

CATS clustering algorithm source codes and howto guide

chatgpt-md-templates

A companion folder of templates for ChatGPT MD.

cheatsheets

Official Matplotlib cheat sheets

chem101.6

clone

Clustering tool for biomolecular structural ensembles and data in general.

cmumd

CmuMD implementation for PLUMED2

comparison-saxs

computational_chemistry

Files used in TMP Chem videos on computational chemistry

contact_map

Contact map analysis for biomolecules; based on MDTraj

createremddirs

Automatically generate input for running M-REMD simulations (and more) in Amber.

cspred

UCBShift is a program for predicting chemical shifts for backbone atoms and β-carbon of a protein in solution. It utilizes a machine learning module that makes predictions from features extracted from the 3D structures of the proteins.

ctrl

Conditional Transformer Language Model for Controllable Generation

datasciencecoursera

Data Science Repo and blog for John Hopkins Coursera Courses. Please let me know if you have any questions.

dd_protocol

Official repository for the Deep Docking protocol

ddpm_remd

Denoising diffusion probabilistic models for replica exchange

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

dna_tools

Tools to analyse and manipulate DNA conformation

dnatools

dotfiles

My dotfiles and personal preferences

elvim

ELViM is a method for visualizing the energy landscapes of biomolecules simulations.

encodermap

python library for dimensionality reduction